AD48807
331281-15-3 | Benzyl 4-amino-4-cyanopiperidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AD48807
ChemicalName
Benzyl 4-amino-4-cyanopiperidine-1-carboxylate
CasNumber
331281-15-3
MolecularFormula
C14H17N3O2
MolecularWeight
259.3037
MdlNumber
MFCD14582465
Smiles
N#CC1(N)CCN(CC1)C(=O)OCc1ccccc1
Complexity
360
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.8
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CatalogNumber: AD48807
ChemicalName: Benzyl 4-amino-4-cyanopiperidine-1-carboxylate
CasNumber: 331281-15-3
MolecularFormula: C14H17N3O2
MolecularWeight: 259.3037
MdlNumber: MFCD14582465
Smiles: N#CC1(N)CCN(CC1)C(=O)OCc1ccccc1
Complexity: 360
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.8
CatalogNumber:
AD48807
ChemicalName:
Benzyl 4-amino-4-cyanopiperidine-1-carboxylate
CasNumber:
331281-15-3
MolecularFormula:
C14H17N3O2
MolecularWeight:
259.3037
MdlNumber:
MFCD14582465
Smiles:
N#CC1(N)CCN(CC1)C(=O)OCc1ccccc1
Complexity:
360
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.8
CatalogNumber: AD48809
ChemicalName: 1-Bromo-3-(4-methylpiperazinocarbonyl)benzene
CasNumber: 331274-67-0
MolecularFormula: C12H15BrN2O
MolecularWeight: 283.1643
MdlNumber: MFCD00594888
Smiles: CN1CCN(CC1)C(=O)c1cccc(c1)Br
Complexity: 251
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 1
CatalogNumber:
AD48809
ChemicalName:
1-Bromo-3-(4-methylpiperazinocarbonyl)benzene
CasNumber:
331274-67-0
MolecularFormula:
C12H15BrN2O
MolecularWeight:
283.1643
MdlNumber:
MFCD00594888
Smiles:
CN1CCN(CC1)C(=O)c1cccc(c1)Br
Complexity:
251
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccccc1N1CCN(CC1)C(=O)CCCC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccccc1N1CCN(CC1)C(=O)CCCC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(Nc1nc(N)nc(=O)[nH]1)CC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(Nc1nc(N)nc(=O)[nH]1)CC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__