alpha-(p-Fluorophenyl)-4-(alpha-hydroxy-alpha-phenylbenzyl)-1-piperidinebutanol

HCID 19937439

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Basic information

CAS: 43076-21-7
Standard SMILES: OC(CCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1
InChIKey: WXBIVZRVNZMQDV-UHFFFAOYSA-N
Molecular formula: C28H32FNO2
Average molar mass: 433.6 g/mol
Monoisotopic mass: 433.24170743

Names & identifiers

Preferred name: alpha-(p-Fluorophenyl)-4-(alpha-hydroxy-alpha-phenylbenzyl)-1-piperidinebutanol
IUPAC: 1-(4-fluorophenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol

Names & synonyms

SCHEMBL9076057CHEMBL3342819WXBIVZRVNZMQDV-UHFFFAOYSA-NDTXSID201171195alpha-(p-fluorophenyl)-4-(alpha-hydroxy-alpha-phenylbenzyl)-1-piperidinebutanol43076-21-7I+/--(4-Fluorophenyl)-4-(hydroxydiphenylmethyl)-1-piperidinebutanol1-(4-Fluorophenyl)-4-{4-[hydroxy(diphenyl)methyl]piperidin-1-yl}butan-1-ol

Database identifiers

CAS: 43076-21-7
PubChem CID: 19937439
DTXSID: DTXSID201171195
ChEMBL: CHEMBL3342819

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 43.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 32
Formal charge: 0
Complexity: 512

Related reactions

1 records

New reaction record

HRID 1448494As reactantuspto-grants-1979_12

Compound notes

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