1-Piperazinepropanol, alpha-(p-chlorophenyl)-4-(beta-methoxyphenethyl)-, dihydrochloride

HCID 214044

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Basic information

CAS: 27588-47-2
Standard SMILES: COC(CN1CCN(CCC(O)c2ccc(Cl)cc2)CC1)c1ccccc1.Cl.Cl
InChIKey: JPGWYOJBMMBLFX-UHFFFAOYSA-N
Molecular formula: C22H31Cl3N2O2
Average molar mass: 461.8 g/mol
Monoisotopic mass: 460.145111

Names & identifiers

Preferred name: 1-Piperazinepropanol, alpha-(p-chlorophenyl)-4-(beta-methoxyphenethyl)-, dihydrochloride
IUPAC: 1-(4-chlorophenyl)-3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]propan-1-ol;dihydrochloride

Names & synonyms

27588-47-2alpha-(p-Chlorophenyl)-4-(beta-methoxyphenethyl)-1-piperazinepropanol dihydrochloride1-Piperazinepropanol, alpha-(p-chlorophenyl)-4-(beta-methoxyphenethyl)-, dihydrochlorideRefChem:234088DTXSID909502621-(4-Chlorophenyl)-3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]propan-1-ol--hydrogen chloride (1/2)

Database identifiers

CAS: 27588-47-2
PubChem CID: 214044
DTXSID: DTXSID90950262

Properties

Computed structural properties

Topological polar surface area: 35.9 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 29
Formal charge: 0
Complexity: 403

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