4'-(2-Hydroxy-3-(4-phenylpiperazinyl)propoxy)acetophenone

HCID 46161

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Basic information

CAS: 63990-49-8
Standard SMILES: CC(=O)c1ccc(OCC(O)CN2CCN(c3ccccc3)CC2)cc1
InChIKey: HCECCXWIJRUZPU-UHFFFAOYSA-N
Molecular formula: C21H26N2O3
Average molar mass: 354.4 g/mol
Monoisotopic mass: 354.1943427

Names & identifiers

Preferred name: 4'-(2-Hydroxy-3-(4-phenylpiperazinyl)propoxy)acetophenone
IUPAC: 1-[4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]ethanone
English name: 4'-[2-Hydroxy-3-(4-phenylpiperazino)propoxy]acetophenone
Molecular formula: C21H26N2O3
Molecular weight: 354.44

Names & synonyms

63990-49-84'-(2-Hydroxy-3-(4-phenylpiperazinyl)propoxy)acetophenone1-[4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]ethanoneCHEMBL5595839Ethanone,1-[4-[2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy]phenyl]-BRN 05713851-(4-Acetylphenoxy)-3-(4-phenylpiperazinyl)propan-2-olACETOPHENONE, 4'-(2-HYDROXY-3-(4-PHENYLPIPERAZINYL)PROPOXY)-DTXSID009817691-{4-[2-Hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl}ethan-1-oneAKOS001655272AKOS016287600

Show more names

Ethanone, 1-[4-[2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy]phenyl]-

DB-324865ST509983264'-[2-Hydroxy-3-(4-phenylpiperazino)propoxy]acetophenone1-acetyl-4-[2-hydroxy-3-(4-phenylpiperazinyl)propoxy]benzene

Database identifiers

CAS: 63990-49-8
PubChem CID: 46161
DTXSID: DTXSID00981769
ChEMBL: CHEMBL5595839
Nikkaji: J90.752I

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 53 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 26
Formal charge: 0
Complexity: 423

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