1-(3-Chlorobenzyl)-4-[4-(methylsulfanyl)benzyl]piperazine
Basic information
- CAS
355819-03-3- Standard SMILES
CSc1ccc(CN2CCN(Cc3cccc(Cl)c3)CC2)cc1- InChIKey
DHRIGVPYBCIIJV-UHFFFAOYSA-N- Molecular formula
- C19H23ClN2S
- Average molar mass
- 346.9 g/mol
- Monoisotopic mass
- 346.1270476
Names & identifiers
- Preferred name
- 1-(3-Chlorobenzyl)-4-[4-(methylsulfanyl)benzyl]piperazine
- IUPAC
- 1-[(3-chlorophenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine
Names & synonyms
355819-03-31-(3-chlorobenzyl)-4-[4-(methylsulfanyl)benzyl]piperazine1-[(3-Chlorophenyl)methyl]-4-[[4-(methylthio)phenyl]methyl]piperazineOprea1_275787AK-968/13150132DTXSID701155883SMSF0009348STK1450571-[(3-chlorophenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazineAKOS001618770CB00656CCG-107647
Show more names
4-{[4-(3-chlorobenzyl)-1-piperazinyl]methyl}phenyl methyl sulfide1-[(3-CHLOROPHENYL)METHYL]-4-{[4-(METHYLSULFANYL)PHENYL]METHYL}PIPERAZINE1-[(3-chlorophenyl)methyl]-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine--oxalic acid (1/1)
Database identifiers
- CAS
355819-03-3- PubChem CID
- 876906
- DTXSID
DTXSID701155883
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 31.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 338
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Compound notes
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