AA84796
162997-46-8 | 4-(4-(Hydroxymethyl)piperidin-1-yl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AA84796
ChemicalName
4-(4-(Hydroxymethyl)piperidin-1-yl)benzonitrile
CasNumber
162997-46-8
MolecularFormula
C13H16N2O
MolecularWeight
216.2789
MdlNumber
MFCD08689746
Smiles
OCC1CCN(CC1)c1ccc(cc1)C#N
Complexity
254
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.8
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CatalogNumber: AA84796
ChemicalName: 4-(4-(Hydroxymethyl)piperidin-1-yl)benzonitrile
CasNumber: 162997-46-8
MolecularFormula: C13H16N2O
MolecularWeight: 216.2789
MdlNumber: MFCD08689746
Smiles: OCC1CCN(CC1)c1ccc(cc1)C#N
Complexity: 254
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AA84796
ChemicalName:
4-(4-(Hydroxymethyl)piperidin-1-yl)benzonitrile
CasNumber:
162997-46-8
MolecularFormula:
C13H16N2O
MolecularWeight:
216.2789
MdlNumber:
MFCD08689746
Smiles:
OCC1CCN(CC1)c1ccc(cc1)C#N
Complexity:
254
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.8
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Smiles: N#Cc1ccc(cc1)C1CCNCC1.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
N#Cc1ccc(cc1)C1CCNCC1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
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Smiles: N#Cc1ccc(cc1)C1CCN(CC1)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
N#Cc1ccc(cc1)C1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1ccc(cc1)N1CCC(CC1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1ccc(cc1)N1CCC(CC1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__