AA69054
141943-04-6 | 1-Benzylpiperidine-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA69054
ChemicalName
1-Benzylpiperidine-3-carboxylic acid
CasNumber
141943-04-6
MolecularFormula
C13H17NO2
MolecularWeight
219.2796
MdlNumber
MFCD03086172
Smiles
OC(=O)C1CCCN(C1)Cc1ccccc1
Complexity
236
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
-0.5
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CatalogNumber: AA69054
ChemicalName: 1-Benzylpiperidine-3-carboxylic acid
CasNumber: 141943-04-6
MolecularFormula: C13H17NO2
MolecularWeight: 219.2796
MdlNumber: MFCD03086172
Smiles: OC(=O)C1CCCN(C1)Cc1ccccc1
Complexity: 236
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.5
CatalogNumber:
AA69054
ChemicalName:
1-Benzylpiperidine-3-carboxylic acid
CasNumber:
141943-04-6
MolecularFormula:
C13H17NO2
MolecularWeight:
219.2796
MdlNumber:
MFCD03086172
Smiles:
OC(=O)C1CCCN(C1)Cc1ccccc1
Complexity:
236
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.5
CatalogNumber: AA69056
ChemicalName: Ethyl (r)-(-)-4-cyano-3-hydroxybutyrate
CasNumber: 141942-85-0
MolecularFormula: C7H11NO3
MolecularWeight: 157.1671
MdlNumber: MFCD00270839
Smiles: CCOC(=O)C[C@@H](CC#N)O
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
UndefinedAtomStereocenterCount: __
Xlogp3: -0.5
CatalogNumber:
AA69056
ChemicalName:
Ethyl (r)-(-)-4-cyano-3-hydroxybutyrate
CasNumber:
141942-85-0
MolecularFormula:
C7H11NO3
MolecularWeight:
157.1671
MdlNumber:
MFCD00270839
Smiles:
CCOC(=O)C[C@@H](CC#N)O
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
__
Xlogp3:
-0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)OC1OCCCC1(Cl)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)OC1OCCCC1(Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)OC1OCCC1(Cl)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)OC1OCCC1(Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__