AD07448
915226-44-7 | tert-butyl (3R)-3-cyanopiperidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AD07448
ChemicalName
tert-butyl (3R)-3-cyanopiperidine-1-carboxylate
CasNumber
915226-44-7
MolecularFormula
C11H18N2O2
MolecularWeight
210.2728
MdlNumber
MFCD05864632
Smiles
N#C[C@@H]1CCCN(C1)C(=O)OC(C)(C)C
Complexity
285
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
1.3
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CatalogNumber: AD07448
ChemicalName: tert-butyl (3R)-3-cyanopiperidine-1-carboxylate
CasNumber: 915226-44-7
MolecularFormula: C11H18N2O2
MolecularWeight: 210.2728
MdlNumber: MFCD05864632
Smiles: N#C[C@@H]1CCCN(C1)C(=O)OC(C)(C)C
Complexity: 285
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AD07448
ChemicalName:
tert-butyl (3R)-3-cyanopiperidine-1-carboxylate
CasNumber:
915226-44-7
MolecularFormula:
C11H18N2O2
MolecularWeight:
210.2728
MdlNumber:
MFCD05864632
Smiles:
N#C[C@@H]1CCCN(C1)C(=O)OC(C)(C)C
Complexity:
285
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.3
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Smiles: O[C@H]1CN[C@@H](C1)C(=O)N(Cc1ccccc1)Cc1ccccc1
Complexity: __
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Smiles:
O[C@H]1CN[C@@H](C1)C(=O)N(Cc1ccccc1)Cc1ccccc1
Complexity:
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Smiles: COc1cccc2c1OCC(=O)C2
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Smiles:
COc1cccc2c1OCC(=O)C2
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RotatableBondCount:
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Smiles: C=CCCC(=O)N[C@H](C(=O)OCc1ccccc1)CCC(=O)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
C=CCCC(=O)N[C@H](C(=O)OCc1ccccc1)CCC(=O)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__