1-[(2-chlorophenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine

C19H23ClN2S — CID 772079

IUPAC1-[(2-chlorophenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine
SMILESCSc1ccc(CN2CCN(Cc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C19H23ClN2S/c1-23-18-8-6-16(7-9-18)14-21-10-12-22(13-11-21)15-17-4-2-3-5-19(17)20/h2-9H,10-15H2,1H3
InChIKeySUIMUMSHEQVQDC-UHFFFAOYSA-N
MW346.93 g/mol
LogP4.38
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine

1-[(2-chlorophenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine (PubChem CID 772079) has the molecular formula C19H23ClN2S and a molecular weight of 346.93 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine
PubChem CID772079
Molecular FormulaC19H23ClN2S
Molecular Weight346.93 g/mol
Exact Mass346.13
IUPAC Name1-[(2-chlorophenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine
SMILESCSc1ccc(CN2CCN(Cc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C19H23ClN2S/c1-23-18-8-6-16(7-9-18)14-21-10-12-22(13-11-21)15-17-4-2-3-5-19(17)20/h2-9H,10-15H2,1H3
InChIKeySUIMUMSHEQVQDC-UHFFFAOYSA-N
XLogP4.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.93
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-{1-[4-(4-Chloro-benzenesulfonyl)-phenyl]-ethyl}-4-cyclohexyl-piperazine
CID 44312450
(4-(2-Chloro-benzyl)-piperazin-1-YL)-(4-methylsulfanyl-benzylidene)-amine
CID 5343124
4-(4-Chlorobenzyl)-N-(4-(methylthio)benzylidene)-1-piperazinamine
CID 6894483
1-[(2-Chlorophenyl)methyl]-4-(3-phenylpropyl)piperazine
CID 742594
1-Benzyl-4-(2-chlorobenzyl)piperazine
CID 764825
1-Benzyl-4-{[4-(methylthio)phenyl]carbonothioyl}piperazine
CID 971920
1-(2-Chlorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 2169034
N'-[[2-(2-chlorophenyl)sulfanylphenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 137640861
N'-[[2-(2-chlorophenyl)sulfanylphenyl]methyl]-N'-methylethane-1,2-diamine
CID 137655207
1,4-Bis-(2-chlorobenzyl) piperazine
CID 17267323
Dehydrochlothepin
CID 211145
N,N-Dimethyl-4-(3-chlorophenylthio)benzylamine hydrochloride
CID 3027274

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine (CID 772079) is 1-[(2-chlorophenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine is CSc1ccc(CN2CCN(Cc3ccccc3Cl)CC2)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine?
The InChIKey is SUIMUMSHEQVQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2S/c1-23-18-8-6-16(7-9-18)14-21-10-12-22(13-11-21)15-17-4-2-3-5-19(17)20/h2-9H,10-15H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine?
1-[(2-chlorophenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine has a molecular weight of 346.93 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine is sourced from PubChem (CID 772079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).