AI63652
948015-72-3 | tert-Butyl 3-(cyanomethyl)piperidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI63652
ChemicalName
tert-Butyl 3-(cyanomethyl)piperidine-1-carboxylate
CasNumber
948015-72-3
MolecularFormula
C12H20N2O2
MolecularWeight
224.2994
MdlNumber
MFCD08461079
Smiles
N#CCC1CCCN(C1)C(=O)OC(C)(C)C
Complexity
298
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
1.5
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CatalogNumber: AI63652
ChemicalName: tert-Butyl 3-(cyanomethyl)piperidine-1-carboxylate
CasNumber: 948015-72-3
MolecularFormula: C12H20N2O2
MolecularWeight: 224.2994
MdlNumber: MFCD08461079
Smiles: N#CCC1CCCN(C1)C(=O)OC(C)(C)C
Complexity: 298
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.5
CatalogNumber:
AI63652
ChemicalName:
tert-Butyl 3-(cyanomethyl)piperidine-1-carboxylate
CasNumber:
948015-72-3
MolecularFormula:
C12H20N2O2
MolecularWeight:
224.2994
MdlNumber:
MFCD08461079
Smiles:
N#CCC1CCCN(C1)C(=O)OC(C)(C)C
Complexity:
298
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.5
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Smiles: O=C1CNC(=O)c2c(N1)ccc(c2)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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Smiles:
O=C1CNC(=O)c2c(N1)ccc(c2)F
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: COc1cc(ccc1OC)/C=C/1SC(=S)NC1=O
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Xlogp3: __
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Smiles:
COc1cc(ccc1OC)/C=C/1SC(=S)NC1=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: COC(=O)c1ccc(c(c1)F)N1CCN(CC1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COC(=O)c1ccc(c(c1)F)N1CCN(CC1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__