1-Piperazineethanol, alpha-phenylthiomethyl-4-(o-tolyl)-
Basic information
- CAS
66307-35-5- Standard SMILES
Cc1ccccc1N1CCN(CC(O)CSc2ccccc2)CC1- InChIKey
AWQRVDXIHPAUQH-UHFFFAOYSA-N- Molecular formula
- C20H26N2OS
- Average molar mass
- 342.5 g/mol
- Monoisotopic mass
- 342.17658463
Names & identifiers
- Preferred name
- 1-Piperazineethanol, alpha-phenylthiomethyl-4-(o-tolyl)-
- IUPAC
- 1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol
- English name
- α-[(Phenylthio)methyl]-4-(o-tolyl)-1-piperazineethanol
- Molecular formula
- C20H26N2OS
- Molecular weight
- 342.5
Names & synonyms
alpha-Phenylthiomethyl-4-(o-tolyl)-1-piperazineethanol66307-35-51-Piperazineethanol, alpha-phenylthiomethyl-4-(o-tolyl)-RefChem:233965NCIOpen2_009828DTXSID109848671-[4-(2-Methylphenyl)piperazin-1-yl]-3-(phenylsulfanyl)propan-2-olα-[(Phenylthio)methyl]-4-(o-tolyl)-1-piperazineethanol1-Piperazineethanol, 4-(2-methylphenyl)-α-[(phenylthio)methyl]-
Database identifiers
- CAS
66307-35-5- PubChem CID
- 417443
- DTXSID
DTXSID10984867- Nikkaji
- J117.880F
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 354
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Compound notes
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