Basic information
- CAS
27588-39-2- Standard SMILES
COC(CN1CCN(CCC(O)c2ccc(OCCN3CCCCC3)cc2)CC1)c1ccccc1.Cl.Cl.Cl- InChIKey
YWGDHYBVDBEUNB-UHFFFAOYSA-N- Molecular formula
- C29H46Cl3N3O3
- Average molar mass
- 591 g/mol
- Monoisotopic mass
- 589.260475
Names & identifiers
- Preferred name
- 1-Piperazinepropanol, 4-(beta-methoxyphenethyl)-alpha-(p-(2-piperidinoethoxy)phenyl)-, trihydrochloride
- IUPAC
- 3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-1-ol;trihydrochloride
Names & synonyms
27588-39-24-(beta-Methoxyphenethyl)-alpha-(p-(2-piperidinoethoxy)phenyl)-1-piperazinepropanol 3HCl1-Piperazinepropanol, 4-(beta-methoxyphenethyl)-alpha-(p-(2-piperidinoethoxy)phenyl)-, trihydrochlorideRefChem:234077DTXSID609502543-[4-(2-Methoxy-2-phenylethyl)piperazin-1-yl]-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}propan-1-ol--hydrogen chloride (1/3)
Database identifiers
- CAS
27588-39-2- PubChem CID
- 214030
- DTXSID
DTXSID60950254
Properties
Computed structural properties
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 551
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…