1-Piperazinepropanol, 4-(beta-methoxyphenethyl)-alpha-(3,4,5-trimethoxyphenyl)-, dihydrochloride

HCID 214036

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Basic information

CAS: 27588-42-7
Standard SMILES: COc1cc(C(O)CCN2CCN(CC(OC)c3ccccc3)CC2)cc(OC)c1OC.Cl.Cl
InChIKey: BLLUKOAKBNKNSX-UHFFFAOYSA-N
Molecular formula: C25H38Cl2N2O5
Average molar mass: 517.5 g/mol
Monoisotopic mass: 516.2157777

Names & identifiers

Preferred name: 1-Piperazinepropanol, 4-(beta-methoxyphenethyl)-alpha-(3,4,5-trimethoxyphenyl)-, dihydrochloride
IUPAC: 3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-ol;dihydrochloride

Names & synonyms

27588-42-74-(beta-Methoxyphenethyl)-alpha-(3,4,5-trimethoxyphenyl)-1-piperazinepropanol dihydrochloride1-Piperazinepropanol, 4-(beta-methoxyphenethyl)-alpha-(3,4,5-trimethoxyphenyl)-, dihydrochlorideRefChem:234076DTXSID409502573-[4-(2-Methoxy-2-phenylethyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-ol--hydrogen chloride (1/2)

Database identifiers

CAS: 27588-42-7
PubChem CID: 214036
DTXSID: DTXSID40950257

Properties

Computed structural properties

Topological polar surface area: 63.6 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 11
Heavy atoms: 34
Formal charge: 0
Complexity: 497

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