AA72009
144539-77-5 | (3S)-piperidin-3-ylmethanol
Manufacturer: A2B Chem
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CatalogNumber
AA72009
ChemicalName
(3S)-piperidin-3-ylmethanol
CasNumber
144539-77-5
MolecularFormula
C6H13NO
MolecularWeight
115.17351999999998
MdlNumber
MFCD10567175
Smiles
OC[C@H]1CCCNC1
Complexity
65.5
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
-0.1
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CatalogNumber: AA72009
ChemicalName: (3S)-piperidin-3-ylmethanol
CasNumber: 144539-77-5
MolecularFormula: C6H13NO
MolecularWeight: 115.17351999999998
MdlNumber: MFCD10567175
Smiles: OC[C@H]1CCCNC1
Complexity: 65.5
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: -0.1
CatalogNumber:
AA72009
ChemicalName:
(3S)-piperidin-3-ylmethanol
CasNumber:
144539-77-5
MolecularFormula:
C6H13NO
MolecularWeight:
115.17351999999998
MdlNumber:
MFCD10567175
Smiles:
OC[C@H]1CCCNC1
Complexity:
65.5
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
-0.1
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Smiles: O=C(N1CC(=C)CC1C(=O)[O-])OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
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Smiles:
O=C(N1CC(=C)CC1C(=O)[O-])OC(C)(C)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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MolecularFormula: __
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Smiles: O=C1CN[C@H]([C@H](O1)c1ccccc1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
O=C1CN[C@H]([C@H](O1)c1ccccc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: N#CCOc1ccc2c(c1)OC(CC2=O)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CCOc1ccc2c(c1)OC(CC2=O)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__