AH82428
885069-22-7 | Benzyl 3-cyanopiperidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AH82428
ChemicalName
Benzyl 3-cyanopiperidine-1-carboxylate
CasNumber
885069-22-7
MolecularFormula
C14H16N2O2
MolecularWeight
244.289
MdlNumber
MFCD04115339
Smiles
N#CC1CCCN(C1)C(=O)OCc1ccccc1
Complexity
328
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
1.8
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CatalogNumber: AH82428
ChemicalName: Benzyl 3-cyanopiperidine-1-carboxylate
CasNumber: 885069-22-7
MolecularFormula: C14H16N2O2
MolecularWeight: 244.289
MdlNumber: MFCD04115339
Smiles: N#CC1CCCN(C1)C(=O)OCc1ccccc1
Complexity: 328
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.8
CatalogNumber:
AH82428
ChemicalName:
Benzyl 3-cyanopiperidine-1-carboxylate
CasNumber:
885069-22-7
MolecularFormula:
C14H16N2O2
MolecularWeight:
244.289
MdlNumber:
MFCD04115339
Smiles:
N#CC1CCCN(C1)C(=O)OCc1ccccc1
Complexity:
328
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.8
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Smiles: Nc1ccnc2c1c(Cl)ccc2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Xlogp3: __
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Smiles:
Nc1ccnc2c1c(Cl)ccc2
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: OC(=O)CC(c1ccccc1C)C(=O)O
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Smiles:
OC(=O)CC(c1ccccc1C)C(=O)O
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__
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__
HydrogenBondAcceptorCount:
__
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Smiles: Brc1ccccc1C(=O)N1CCNCC1
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__
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Brc1ccccc1C(=O)N1CCNCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__