AB05977
205194-35-0 | (S)-1-Methyl-3-(hydroxymethyl)piperidine
Manufacturer: A2B Chem
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CatalogNumber
AB05977
ChemicalName
(S)-1-Methyl-3-(hydroxymethyl)piperidine
CasNumber
205194-35-0
MolecularFormula
C7H15NO
MolecularWeight
129.2001
MdlNumber
MFCD11035736
Smiles
OC[C@H]1CCCN(C1)C
Complexity
85
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.3
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CatalogNumber: AB05977
ChemicalName: (S)-1-Methyl-3-(hydroxymethyl)piperidine
CasNumber: 205194-35-0
MolecularFormula: C7H15NO
MolecularWeight: 129.2001
MdlNumber: MFCD11035736
Smiles: OC[C@H]1CCCN(C1)C
Complexity: 85
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.3
CatalogNumber:
AB05977
ChemicalName:
(S)-1-Methyl-3-(hydroxymethyl)piperidine
CasNumber:
205194-35-0
MolecularFormula:
C7H15NO
MolecularWeight:
129.2001
MdlNumber:
MFCD11035736
Smiles:
OC[C@H]1CCCN(C1)C
Complexity:
85
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCCN1CCS(=O)(=O)CC1
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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Smiles:
OCCCN1CCS(=O)(=O)CC1
Complexity:
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Covalently-bondedUnitCount:
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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MolecularFormula: __
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MdlNumber: __
Smiles: CCOC(=O)[C@@H]1CCCN(C1)C
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
CCOC(=O)[C@@H]1CCCN(C1)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: O=C(N[C@H](C(=O)O)CCc1ccc(cc1)[N+](=O)[O-])OCC1c2ccccc2-c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N[C@H](C(=O)O)CCc1ccc(cc1)[N+](=O)[O-])OCC1c2ccccc2-c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__