Basic information
- CAS
1668-42-4- Standard SMILES
OC(COc1ccccc1)CN1CCN(c2cccc(Cl)c2)CC1- InChIKey
YFIBQIOYSRTVMO-UHFFFAOYSA-N- Molecular formula
- C19H23ClN2O2
- Average molar mass
- 346.8 g/mol
- Monoisotopic mass
- 346.1448057
Names & identifiers
- Preferred name
- 1-[4-(3-Chlorophenyl)piperazin-1-yl]-3-phenoxypropan-2-ol
- IUPAC
- 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-phenoxypropan-2-ol
Names & synonyms
1668-42-41-[4-(3-chlorophenyl)piperazin-1-yl]-3-phenoxypropan-2-olMLS0027042681-Piperazineethanol,4-(3-chlorophenyl)-a-(phenoxymethyl)-NSC111189CHEMBL2132995SCHEMBL19852034SCHEMBL30001848DTXSID20296721AKOS002710338AKOS016072247NSC-111189
Show more names
SMR001570971
Database identifiers
- CAS
1668-42-4- PubChem CID
- 269702
- DTXSID
DTXSID20296721- ChEMBL
CHEMBL2132995
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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