1-Piperazineethanol, 4-(o-chlorophenyl)-alpha-phenoxymethyl-
Basic information
- CAS
1047-41-2- Standard SMILES
OC(COc1ccccc1)CN1CCN(c2ccccc2Cl)CC1- InChIKey
ALGOVWYEAXZOKG-UHFFFAOYSA-N- Molecular formula
- C19H23ClN2O2
- Average molar mass
- 346.8 g/mol
- Monoisotopic mass
- 346.1448057
Names & identifiers
- Preferred name
- 1-Piperazineethanol, 4-(o-chlorophenyl)-alpha-phenoxymethyl-
- IUPAC
- 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenoxypropan-2-ol
- English name
- 4-(2-Chlorophenyl)-α-(phenoxymethyl)-1-piperazineethanol
- Molecular formula
- C19H23ClN2O2
- Molecular weight
- 346.85112
Names & synonyms
1047-41-21-Piperazineethanol, 4-(o-chlorophenyl)-alpha-phenoxymethyl-RefChem:10565931-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenoxypropan-2-ol4-(2-Chlorophenyl)-alpha-(phenoxymethyl)-1-piperazineethanolNSC 91349NSC913494-(o-Chlorophenyl)-alpha-phenoxymethyl-1-piperazineethanolSCHEMBL4750776SCHEMBL30001672DTXSID5013849471-Piperazineethanol, 4-(2-chlorophenyl)-alpha-(phenoxymethyl)-
Show more names
4-(2-Chlorophenyl)-α-(phenoxymethyl)-1-piperazineethanol
1-Piperazineethanol, 4-(o-chlorophenyl)-.alpha.-phenoxymethyl-1-Piperazineethanol, 4-(2-chlorophenyl)-.alpha.-(phenoxymethyl)-NSC-913494-(o-Chlorophenyl)-.alpha.-phenoxymethyl-1-piperazineethanol
Database identifiers
- CAS
1047-41-2- PubChem CID
- 98228
- DTXSID
DTXSID501384947- Nikkaji
- J50.619B
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
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Related reactions
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Compound notes
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