AF86730
405061-52-1 | Benzyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AF86730
ChemicalName
Benzyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate
CasNumber
405061-52-1
MolecularFormula
C14H19NO3
MolecularWeight
249.3056
MdlNumber
MFCD17168404
Smiles
OC[C@H]1CCCN(C1)C(=O)OCc1ccccc1
Complexity
264
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.7
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CatalogNumber: AF86730
ChemicalName: Benzyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate
CasNumber: 405061-52-1
MolecularFormula: C14H19NO3
MolecularWeight: 249.3056
MdlNumber: MFCD17168404
Smiles: OC[C@H]1CCCN(C1)C(=O)OCc1ccccc1
Complexity: 264
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.7
CatalogNumber:
AF86730
ChemicalName:
Benzyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate
CasNumber:
405061-52-1
MolecularFormula:
C14H19NO3
MolecularWeight:
249.3056
MdlNumber:
MFCD17168404
Smiles:
OC[C@H]1CCCN(C1)C(=O)OCc1ccccc1
Complexity:
264
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.7
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Smiles: NCc1ccc(cc1)OCC(C)C.Cl
Complexity: __
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Smiles:
NCc1ccc(cc1)OCC(C)C.Cl
Complexity:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Cc1cc(C)c(c(c1)C)c1cc2ccccc2c(c1O)c1c(O)c(cc2c1cccc2)c1c(C)cc(cc1C)C
Complexity: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
Cc1cc(C)c(c(c1)C)c1cc2ccccc2c(c1O)c1c(O)c(cc2c1cccc2)c1c(C)cc(cc1C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__