AE64027
1350475-42-1 | 1-Boc-4-(cyanomethyl)-4-piperidine carboxylic acid methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AE64027
ChemicalName
1-Boc-4-(cyanomethyl)-4-piperidine carboxylic acid methyl ester
CasNumber
1350475-42-1
MolecularFormula
C14H22N2O4
MolecularWeight
282.3355
MdlNumber
MFCD18072615
Smiles
N#CCC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)OC
Complexity
422
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
RotatableBondCount
5
Xlogp3
1
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CatalogNumber: AE64027
ChemicalName: 1-Boc-4-(cyanomethyl)-4-piperidine carboxylic acid methyl ester
CasNumber: 1350475-42-1
MolecularFormula: C14H22N2O4
MolecularWeight: 282.3355
MdlNumber: MFCD18072615
Smiles: N#CCC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)OC
Complexity: 422
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
RotatableBondCount: 5
Xlogp3: 1
CatalogNumber:
AE64027
ChemicalName:
1-Boc-4-(cyanomethyl)-4-piperidine carboxylic acid methyl ester
CasNumber:
1350475-42-1
MolecularFormula:
C14H22N2O4
MolecularWeight:
282.3355
MdlNumber:
MFCD18072615
Smiles:
N#CCC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)OC
Complexity:
422
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
RotatableBondCount:
5
Xlogp3:
1
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Smiles: CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CCC(C4=CC=C3)N(CCO)C(=O)OC(C)(C)C)C#N
Complexity: __
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Smiles:
CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CCC(C4=CC=C3)N(CCO)C(=O)OC(C)(C)C)C#N
Complexity:
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Smiles: OC[C@@H](c1ccccc1OC)OC1CCOCC1
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Smiles:
OC[C@@H](c1ccccc1OC)OC1CCOCC1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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Smiles: CC(C)C(CCC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CC(C)C(CCC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__