AC02279
88466-74-4 | (S)-Piperidine-1,3-dicarboxylic acid 1-benzyl ester
Manufacturer: A2B Chem
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CatalogNumber
AC02279
ChemicalName
(S)-Piperidine-1,3-dicarboxylic acid 1-benzyl ester
CasNumber
88466-74-4
MolecularFormula
C14H17NO4
MolecularWeight
263.2891
MdlNumber
MFCD04114968
Smiles
OC(=O)[C@H]1CCCN(C1)C(=O)OCc1ccccc1
Complexity
325
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.6
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CatalogNumber: AC02279
ChemicalName: (S)-Piperidine-1,3-dicarboxylic acid 1-benzyl ester
CasNumber: 88466-74-4
MolecularFormula: C14H17NO4
MolecularWeight: 263.2891
MdlNumber: MFCD04114968
Smiles: OC(=O)[C@H]1CCCN(C1)C(=O)OCc1ccccc1
Complexity: 325
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.6
CatalogNumber:
AC02279
ChemicalName:
(S)-Piperidine-1,3-dicarboxylic acid 1-benzyl ester
CasNumber:
88466-74-4
MolecularFormula:
C14H17NO4
MolecularWeight:
263.2891
MdlNumber:
MFCD04114968
Smiles:
OC(=O)[C@H]1CCCN(C1)C(=O)OCc1ccccc1
Complexity:
325
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1cc2OC(c3ccc(c(c3)O)O)C(Cc2c(c1)O)O.O
Complexity: __
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:
Oc1cc2OC(c3ccc(c(c3)O)O)C(Cc2c(c1)O)O.O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1OC(=N/C/1=C/c1ccccc1)C
Complexity: 298
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1OC(=N/C/1=C/c1ccccc1)C
Complexity:
298
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CCCC(=O)C1C(=O)c1ccccc1Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CCCC(=O)C1C(=O)c1ccccc1Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__