1-Propanone, 1-(4-(3-(4-(2-chlorophenyl)-1-piperazinyl)-2-hydroxypropoxy)phenyl)-, (+-)-
Basic information
- CAS
36115-83-0- Standard SMILES
CCC(=O)c1ccc(OCC(O)CN2CCN(c3ccccc3Cl)CC2)cc1- InChIKey
VQNHMUVKVPDNBQ-UHFFFAOYSA-N- Molecular formula
- C22H27ClN2O3
- Average molar mass
- 402.9 g/mol
- Monoisotopic mass
- 402.1710204
Names & identifiers
- Preferred name
- 1-Propanone, 1-(4-(3-(4-(2-chlorophenyl)-1-piperazinyl)-2-hydroxypropoxy)phenyl)-, (+-)-
- IUPAC
- 1-[4-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one
Names & synonyms
36115-83-0BRN 0584298(+-)-1-(4-(3-(4-(2-Chlorophenyl)-1-piperazinyl)-2-hydroxypropoxy)phenyl)-1-propanone1-Propanone, 1-(4-(3-(4-(2-chlorophenyl)-1-piperazinyl)-2-hydroxypropoxy)phenyl)-, (+-)-RefChem:2348251-(4-(3-(4-(2-Chlorophenyl)piperazin-1-yl)-2-hydroxypropoxy)phenyl)propan-1-one1-propanone, 1-[4-[3-[4-(2-chlorophenyl)-1-piperazinyl]-2-hydroxypropoxy]phenyl]-1-(4-{3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy}phenyl)propan-1-one1-[4-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]propan-1-oneNSC147845DTXSID60957521STK138820
Show more names
AKOS002244308AKOS016316336NSC-147845ST50753455VU0494499-1Z31378291F1757-02361-(4-{3-[4-(2-chlorophenyl)piperazinyl]-2-hydroxypropoxy}phenyl)propan-1-one
Database identifiers
- CAS
36115-83-0- PubChem CID
- 215716
- DTXSID
DTXSID60957521
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 476
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Related reactions
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Compound notes
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