AI47704
32749-55-6 | 1-Benzyl-6-oxopiperidine-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI47704
ChemicalName
1-Benzyl-6-oxopiperidine-3-carboxylic acid
CasNumber
32749-55-6
MolecularFormula
C13H15NO3
MolecularWeight
233.2631
MdlNumber
MFCD17041934
Smiles
OC(=O)C1CCC(=O)N(C1)Cc1ccccc1
Complexity
297
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
0.8
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CatalogNumber: AI47704
ChemicalName: 1-Benzyl-6-oxopiperidine-3-carboxylic acid
CasNumber: 32749-55-6
MolecularFormula: C13H15NO3
MolecularWeight: 233.2631
MdlNumber: MFCD17041934
Smiles: OC(=O)C1CCC(=O)N(C1)Cc1ccccc1
Complexity: 297
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.8
CatalogNumber:
AI47704
ChemicalName:
1-Benzyl-6-oxopiperidine-3-carboxylic acid
CasNumber:
32749-55-6
MolecularFormula:
C13H15NO3
MolecularWeight:
233.2631
MdlNumber:
MFCD17041934
Smiles:
OC(=O)C1CCC(=O)N(C1)Cc1ccccc1
Complexity:
297
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.8
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Smiles: COc1ccc(cc1)N1CN(CN(C1)c1ccc(cc1)OC)c1ccc(cc1)OC
Complexity: __
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Smiles:
COc1ccc(cc1)N1CN(CN(C1)c1ccc(cc1)OC)c1ccc(cc1)OC
Complexity:
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Smiles: FC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(c1ccc(s1)c1cccs1)(F)F)F
Complexity: __
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Smiles:
FC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(c1ccc(s1)c1cccs1)(F)F)F
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(c1ccc(s1)c1ccc(s1)Br)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(c1ccc(s1)c1ccc(s1)Br)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__