2-(4-Benzylpiperazin-1-yl)-1-(4-chlorophenyl)ethanol
Basic information
- CAS
6313-07-1- Standard SMILES
OC(CN1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1- InChIKey
XBIUJADNHMADBP-UHFFFAOYSA-N- Molecular formula
- C19H23ClN2O
- Average molar mass
- 330.8 g/mol
- Monoisotopic mass
- 330.1498911
Names & identifiers
- Preferred name
- 2-(4-Benzylpiperazin-1-yl)-1-(4-chlorophenyl)ethanol
- IUPAC
- 2-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)ethanol
Names & synonyms
6313-07-12-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)ethanolNSC40617SCHEMBL4472409DTXSID90285142NSC-40617AKOS0050644082-(4-Benzylpiperazin-1-yl)-1-(4-chlorophenyl)ethan-1-ol
Database identifiers
- CAS
6313-07-1- PubChem CID
- 237277
- DTXSID
DTXSID90285142
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 332
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Compound notes
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