AD45198
109887-53-8 | (+/-)-Trans-4-(fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
Manufacturer: A2B Chem
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CatalogNumber
AD45198
ChemicalName
(+/-)-Trans-4-(fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
CasNumber
109887-53-8
MolecularFormula
C13H18FNO
MolecularWeight
223.2865
MdlNumber
MFCD02093092
Smiles
OC[C@H]1CN(C)CC[C@@H]1c1ccc(cc1)F
Complexity
216
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
2
Xlogp3
1.8
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CatalogNumber: AD45198
ChemicalName: (+/-)-Trans-4-(fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
CasNumber: 109887-53-8
MolecularFormula: C13H18FNO
MolecularWeight: 223.2865
MdlNumber: MFCD02093092
Smiles: OC[C@H]1CN(C)CC[C@@H]1c1ccc(cc1)F
Complexity: 216
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 2
Xlogp3: 1.8
CatalogNumber:
AD45198
ChemicalName:
(+/-)-Trans-4-(fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
CasNumber:
109887-53-8
MolecularFormula:
C13H18FNO
MolecularWeight:
223.2865
MdlNumber:
MFCD02093092
Smiles:
OC[C@H]1CN(C)CC[C@@H]1c1ccc(cc1)F
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
2
Xlogp3:
1.8
CatalogNumber: __
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Smiles: OC[C@@H]1C=C[C@@H](O1)n1cnc2c1nc(N)nc2N
Complexity: __
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HeavyAtomCount: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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Smiles:
OC[C@@H]1C=C[C@@H](O1)n1cnc2c1nc(N)nc2N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: BrCC(=O)NCCCCCC(=O)ON1C(=O)CCC1=O
Complexity: __
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Smiles:
BrCC(=O)NCCCCCC(=O)ON1C(=O)CCC1=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(C(=O)N1CCCC1)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(C(=O)N1CCCC1)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__