Basic information
- CAS
27588-45-0- Standard SMILES
CCCCc1ccc(C(O)CCN2CCN(CC(OC)c3ccccc3)CC2)cc1.Cl.Cl- InChIKey
JGWMYQLHYDGQLH-UHFFFAOYSA-N- Molecular formula
- C26H40Cl2N2O2
- Average molar mass
- 483.5 g/mol
- Monoisotopic mass
- 482.2466839
Names & identifiers
- Preferred name
- 1-Piperazinepropanol, alpha-(p-butylphenyl)-4-(beta-methoxyphenethyl)-, dihydrochloride
- IUPAC
- 1-(4-butylphenyl)-3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]propan-1-ol;dihydrochloride
Names & synonyms
27588-45-0alpha-(p-Butylphenyl)-4-(beta-methoxyphenethyl)-1-piperazinepropanol dihydrochloride1-Piperazinepropanol, alpha-(p-butylphenyl)-4-(beta-methoxyphenethyl)-, dihydrochlorideRefChem:234086DTXSID709502601-(4-Butylphenyl)-3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]propan-1-ol--hydrogen chloride (1/2)
Database identifiers
- CAS
27588-45-0- PubChem CID
- 214040
- DTXSID
DTXSID70950260
Properties
Computed structural properties
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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