AF59286
31648-54-1 | benzyl N-(piperidin-3-yl)carbamate, HCl
Manufacturer: A2B Chem
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CatalogNumber
AF59286
ChemicalName
benzyl N-(piperidin-3-yl)carbamate, HCl
CasNumber
31648-54-1
MolecularFormula
C13H18N2O2
MolecularWeight
234.2942
MdlNumber
MFCD04115317
Smiles
O=C(NC1CCCNC1)OCc1ccccc1
Complexity
240
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
1.6
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CatalogNumber: AF59286
ChemicalName: benzyl N-(piperidin-3-yl)carbamate, HCl
CasNumber: 31648-54-1
MolecularFormula: C13H18N2O2
MolecularWeight: 234.2942
MdlNumber: MFCD04115317
Smiles: O=C(NC1CCCNC1)OCc1ccccc1
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.6
CatalogNumber:
AF59286
ChemicalName:
benzyl N-(piperidin-3-yl)carbamate, HCl
CasNumber:
31648-54-1
MolecularFormula:
C13H18N2O2
MolecularWeight:
234.2942
MdlNumber:
MFCD04115317
Smiles:
O=C(NC1CCCNC1)OCc1ccccc1
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.6
CatalogNumber: __
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Smiles: C#Cc1ccc(cc1)Oc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
C#Cc1ccc(cc1)Oc1ccccc1
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: CCN(c1ccc(cc1)C#C)CC
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UndefinedAtomStereocenterCount: __
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Smiles:
CCN(c1ccc(cc1)C#C)CC
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
__
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Smiles: COc1ccc(cc1/N=N/c1ccc(c2c1ccc(c2)S(=O)(=O)O)/N=N/c1cc(S(=O)(=O)O)c2c(c1O)cccc2)S(=O)(=O)CCOS(=O)(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1/N=N/c1ccc(c2c1ccc(c2)S(=O)(=O)O)/N=N/c1cc(S(=O)(=O)O)c2c(c1O)cccc2)S(=O)(=O)CCOS(=O)(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__