AB55086
105812-81-5 | (3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
Manufacturer: A2B Chem
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CatalogNumber
AB55086
ChemicalName
(3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
CasNumber
105812-81-5
MolecularFormula
C13H18FNO
MolecularWeight
223.2865
MdlNumber
MFCD06658161
Smiles
OC[C@@H]1CN(C)CC[C@H]1c1ccc(cc1)F
Complexity
216
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.8
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CatalogNumber: AB55086
ChemicalName: (3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
CasNumber: 105812-81-5
MolecularFormula: C13H18FNO
MolecularWeight: 223.2865
MdlNumber: MFCD06658161
Smiles: OC[C@@H]1CN(C)CC[C@H]1c1ccc(cc1)F
Complexity: 216
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AB55086
ChemicalName:
(3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
CasNumber:
105812-81-5
MolecularFormula:
C13H18FNO
MolecularWeight:
223.2865
MdlNumber:
MFCD06658161
Smiles:
OC[C@@H]1CN(C)CC[C@H]1c1ccc(cc1)F
Complexity:
216
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@@H]([C@H]1NC(=O)[C@@H]1[C@H](O[Si](C(C)(C)C)(C)C)C)C
Complexity: 403
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC(=O)[C@@H]([C@H]1NC(=O)[C@@H]1[C@H](O[Si](C(C)(C)C)(C)C)C)C
Complexity:
403
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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Smiles: N#C[C@H]1CCC[C@H]2N1[C@H](CO2)c1ccccc1
Complexity: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
N#C[C@H]1CCC[C@H]2N1[C@H](CO2)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: O=C1C=C[C@@]2(N1[C@H](CO2)c1ccccc1)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1C=C[C@@]2(N1[C@H](CO2)c1ccccc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__