AG31963
502639-39-6 | Benzyl 3-acetylpiperidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AG31963
ChemicalName
Benzyl 3-acetylpiperidine-1-carboxylate
CasNumber
502639-39-6
MolecularFormula
C15H19NO3
MolecularWeight
261.31626000000006
MdlNumber
MFCD09953373
Smiles
CC(=O)C1CCCN(C1)C(=O)OCc1ccccc1
Complexity
323
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
3
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
1.8
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CatalogNumber: AG31963
ChemicalName: Benzyl 3-acetylpiperidine-1-carboxylate
CasNumber: 502639-39-6
MolecularFormula: C15H19NO3
MolecularWeight: 261.31626000000006
MdlNumber: MFCD09953373
Smiles: CC(=O)C1CCCN(C1)C(=O)OCc1ccccc1
Complexity: 323
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.8
CatalogNumber:
AG31963
ChemicalName:
Benzyl 3-acetylpiperidine-1-carboxylate
CasNumber:
502639-39-6
MolecularFormula:
C15H19NO3
MolecularWeight:
261.31626000000006
MdlNumber:
MFCD09953373
Smiles:
CC(=O)C1CCCN(C1)C(=O)OCc1ccccc1
Complexity:
323
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.8
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Smiles: COC(=O)c1cccc(c1OC)N
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
COC(=O)c1cccc(c1OC)N
Complexity:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: OC(=O)C1(N)CSCC1.Cl
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UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC(=O)C1(N)CSCC1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: COC(=O)c1ccc2c(c1)c(Br)co2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc2c(c1)c(Br)co2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__