AB42741
39514-19-7 | 1-Benzyl-3-oxo-piperidine-4-carboxylic acid ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB42741
ChemicalName
1-Benzyl-3-oxo-piperidine-4-carboxylic acid ethyl ester
CasNumber
39514-19-7
MolecularFormula
C15H19NO3
MolecularWeight
261.3163
MdlNumber
MFCD00044512
Smiles
CCOC(=O)C1CCN(CC1=O)Cc1ccccc1
Complexity
323
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
2.2
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CatalogNumber: AB42741
ChemicalName: 1-Benzyl-3-oxo-piperidine-4-carboxylic acid ethyl ester
CasNumber: 39514-19-7
MolecularFormula: C15H19NO3
MolecularWeight: 261.3163
MdlNumber: MFCD00044512
Smiles: CCOC(=O)C1CCN(CC1=O)Cc1ccccc1
Complexity: 323
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.2
CatalogNumber:
AB42741
ChemicalName:
1-Benzyl-3-oxo-piperidine-4-carboxylic acid ethyl ester
CasNumber:
39514-19-7
MolecularFormula:
C15H19NO3
MolecularWeight:
261.3163
MdlNumber:
MFCD00044512
Smiles:
CCOC(=O)C1CCN(CC1=O)Cc1ccccc1
Complexity:
323
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1CCn2c(N1)ncc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1CCn2c(N1)ncc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=C(C)C)O[Si](C)(C)C
Complexity: 164
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=C(C)C)O[Si](C)(C)C
Complexity:
164
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB42744
ChemicalName: D-Homophenylalanine
CasNumber: 82795-51-5
MolecularFormula: C10H13NO2
MolecularWeight: 179.2157
MdlNumber: MFCD00063091
Smiles: N[C@@H](C(=O)O)CCc1ccccc1
Complexity: 164
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
UndefinedAtomStereocenterCount: __
Xlogp3: -1.2
CatalogNumber:
AB42744
ChemicalName:
D-Homophenylalanine
CasNumber:
82795-51-5
MolecularFormula:
C10H13NO2
MolecularWeight:
179.2157
MdlNumber:
MFCD00063091
Smiles:
N[C@@H](C(=O)O)CCc1ccccc1
Complexity:
164
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
__
Xlogp3:
-1.2