1-(2,3-dichlorophenyl)-4-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]piperazine;hydrochloride

C24H25Cl3N2OS — CID 141087087

IUPAC1-(2,3-dichlorophenyl)-4-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]piperazine;hydrochloride
SMILESCOc1ccccc1Sc1ccccc1CN1CCN(c2cccc(Cl)c2Cl)CC1.Cl
InChIInChI=1S/C24H24Cl2N2OS.ClH/c1-29-21-10-3-5-12-23(21)30-22-11-4-2-7-18(22)17-27-13-15-28(16-14-27)20-9-6-8-19(25)24(20)26;/h2-12H,13-17H2,1H3;1H
InChIKeyGVAULFYDJCSXFF-UHFFFAOYSA-N
MW495.90 g/mol
LogP6.90
Rot. Bonds6

About 1-(2,3-dichlorophenyl)-4-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]piperazine;hydrochloride

1-(2,3-dichlorophenyl)-4-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]piperazine;hydrochloride (PubChem CID 141087087) has the molecular formula C24H25Cl3N2OS and a molecular weight of 495.90 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-4-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-4-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]piperazine;hydrochloride
PubChem CID141087087
Molecular FormulaC24H25Cl3N2OS
Molecular Weight495.90 g/mol
Exact Mass494.08
IUPAC Name1-(2,3-dichlorophenyl)-4-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]piperazine;hydrochloride
SMILESCOc1ccccc1Sc1ccccc1CN1CCN(c2cccc(Cl)c2Cl)CC1.Cl
InChIInChI=1S/C24H24Cl2N2OS.ClH/c1-29-21-10-3-5-12-23(21)30-22-11-4-2-7-18(22)17-27-13-15-28(16-14-27)20-9-6-8-19(25)24(20)26;/h2-12H,13-17H2,1H3;1H
InChIKeyGVAULFYDJCSXFF-UHFFFAOYSA-N
XLogP6.90
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.90
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dimethylphenyl)-4-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]piperazine
CID 141087065
1-[(2-chlorophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine
CID 1126217
3-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzoic acid
CID 136550037
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 1375666
1-(chloromethyl)-2-(2-methoxyphenyl)sulfanylbenzene
CID 141087077
2-[2-[(4-naphthalen-1-ylpiperazin-1-yl)methyl]phenyl]sulfanylaniline
CID 141087074
1-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine
CID 750588
4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-N-methylbutanamide
CID 141090916
2,4-dibromo-3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6-methoxyphenol
CID 18403837
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 8687109
5-chloro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole
CID 36839160
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-4-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]piperazine;hydrochloride?
The IUPAC name of 1-(2,3-dichlorophenyl)-4-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]piperazine;hydrochloride (CID 141087087) is 1-(2,3-dichlorophenyl)-4-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-4-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]piperazine;hydrochloride?
The canonical SMILES for 1-(2,3-dichlorophenyl)-4-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]piperazine;hydrochloride is COc1ccccc1Sc1ccccc1CN1CCN(c2cccc(Cl)c2Cl)CC1.Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-4-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]piperazine;hydrochloride?
The InChIKey is GVAULFYDJCSXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2OS.ClH/c1-29-21-10-3-5-12-23(21)30-22-11-4-2-7-18(22)17-27-13-15-28(16-14-27)20-9-6-8-19(25)24(20)26;/h2-12H,13-17H2,1H3;1H.
What are the key properties of 1-(2,3-dichlorophenyl)-4-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]piperazine;hydrochloride?
1-(2,3-dichlorophenyl)-4-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]piperazine;hydrochloride has a molecular weight of 495.90 g/mol, XLogP of 6.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-4-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]piperazine;hydrochloride is sourced from PubChem (CID 141087087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).