AG13356
362703-34-2 | 1-tert-Butyl 4-methyl 4-cyanopiperidine-1,4-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AG13356
ChemicalName
1-tert-Butyl 4-methyl 4-cyanopiperidine-1,4-dicarboxylate
CasNumber
362703-34-2
MolecularFormula
C13H20N2O4
MolecularWeight
268.3089
MdlNumber
MFCD18711601
Smiles
COC(=O)C1(C#N)CCN(CC1)C(=O)OC(C)(C)C
Complexity
408
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
RotatableBondCount
4
Xlogp3
1.2
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CatalogNumber: AG13356
ChemicalName: 1-tert-Butyl 4-methyl 4-cyanopiperidine-1,4-dicarboxylate
CasNumber: 362703-34-2
MolecularFormula: C13H20N2O4
MolecularWeight: 268.3089
MdlNumber: MFCD18711601
Smiles: COC(=O)C1(C#N)CCN(CC1)C(=O)OC(C)(C)C
Complexity: 408
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
Xlogp3: 1.2
CatalogNumber:
AG13356
ChemicalName:
1-tert-Butyl 4-methyl 4-cyanopiperidine-1,4-dicarboxylate
CasNumber:
362703-34-2
MolecularFormula:
C13H20N2O4
MolecularWeight:
268.3089
MdlNumber:
MFCD18711601
Smiles:
COC(=O)C1(C#N)CCN(CC1)C(=O)OC(C)(C)C
Complexity:
408
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
Xlogp3:
1.2
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Smiles: CCc1cc(F)ccc1OC1CCNCC1
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
CCc1cc(F)ccc1OC1CCNCC1
Complexity:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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Smiles: COC(=O)C=C1CN(C1)C(=O)OCc1ccccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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MolecularFormula:
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Smiles:
COC(=O)C=C1CN(C1)C(=O)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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MolecularFormula: __
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Smiles: COC(=O)/C=C1/CCCN(C1)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)/C=C1/CCCN(C1)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__