Cyclopropyl{4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl}methanone

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Basic information

CAS: 36115-51-2
Standard SMILES: O=C(c1ccc(OCC(O)CN2CCN(c3ccccc3)CC2)cc1)C1CC1
InChIKey: ZXJRQLASYSPYHW-UHFFFAOYSA-N
Molecular formula: C23H28N2O3
Average molar mass: 380.5 g/mol
Monoisotopic mass: 380.20999276

Names & identifiers

Preferred name: Cyclopropyl{4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl}methanone
IUPAC: cyclopropyl-[4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]methanone

Names & synonyms

36115-51-2BRN 0569964cyclopropyl{4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl}methanone(+-)-Cyclopropyl(4-(2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy)phenyl)methanoneMethanone, cyclopropyl(4-(2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-, (+-)-DTXSID70957517

Database identifiers

CAS: 36115-51-2
PubChem CID: 215711
DTXSID: DTXSID70957517

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 53 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 28
Formal charge: 0
Complexity: 488

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Compound notes

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