1-[3-(2-chlorophenyl)sulfanylpropyl]-4-(pyridin-2-ylmethyl)piperazine

C19H24ClN3S — CID 56509108

IUPAC1-[3-(2-chlorophenyl)sulfanylpropyl]-4-(pyridin-2-ylmethyl)piperazine
SMILESClc1ccccc1SCCCN1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C19H24ClN3S/c20-18-7-1-2-8-19(18)24-15-5-10-22-11-13-23(14-12-22)16-17-6-3-4-9-21-17/h1-4,6-9H,5,10-16H2
InChIKeyZJWZBLJSACJLEC-UHFFFAOYSA-N
MW361.94 g/mol
LogP4.03
Rot. Bonds7

About 1-[3-(2-chlorophenyl)sulfanylpropyl]-4-(pyridin-2-ylmethyl)piperazine

1-[3-(2-chlorophenyl)sulfanylpropyl]-4-(pyridin-2-ylmethyl)piperazine (PubChem CID 56509108) has the molecular formula C19H24ClN3S and a molecular weight of 361.94 g/mol. Its IUPAC name is 1-[3-(2-chlorophenyl)sulfanylpropyl]-4-(pyridin-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[3-(2-chlorophenyl)sulfanylpropyl]-4-(pyridin-2-ylmethyl)piperazine
PubChem CID56509108
Molecular FormulaC19H24ClN3S
Molecular Weight361.94 g/mol
Exact Mass361.14
IUPAC Name1-[3-(2-chlorophenyl)sulfanylpropyl]-4-(pyridin-2-ylmethyl)piperazine
SMILESClc1ccccc1SCCCN1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C19H24ClN3S/c20-18-7-1-2-8-19(18)24-15-5-10-22-11-13-23(14-12-22)16-17-6-3-4-9-21-17/h1-4,6-9H,5,10-16H2
InChIKeyZJWZBLJSACJLEC-UHFFFAOYSA-N
XLogP4.03
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.94
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-(2-chlorophenyl)sulfanylpropyl]-4-(pyridin-2-ylmethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-fluorophenyl)sulfanylethyl]-4-(pyridin-2-ylmethyl)piperazine
CID 134055256
2-[2-(2-chlorophenyl)sulfanylethyl]pyridine
CID 78815813
1-[4,4-bis(4-fluorophenyl)butyl]-4-(pyridin-2-ylmethyl)piperazine
CID 25164681
1-[1-(2-chlorophenyl)ethyl]-4-(pyridin-2-ylmethyl)piperazine
CID 134055122
N-(2-chlorophenyl)-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide
CID 30138028
3-chloro-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]aniline
CID 19627843
3-(pyridin-2-ylmethyl)-9-(2-pyrrolidin-1-ylethyl)-3,9-diazaspiro[5.5]undecane
CID 97450332
2-chloro-2-fluoro-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 166427945
1-[(2-chloro-4-fluorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine
CID 45366948
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol
CID 141230440
N-(2,6-dichlorophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 46666961

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenyl)sulfanylpropyl]-4-(pyridin-2-ylmethyl)piperazine?
The IUPAC name of 1-[3-(2-chlorophenyl)sulfanylpropyl]-4-(pyridin-2-ylmethyl)piperazine (CID 56509108) is 1-[3-(2-chlorophenyl)sulfanylpropyl]-4-(pyridin-2-ylmethyl)piperazine.
What is the SMILES notation for 1-[3-(2-chlorophenyl)sulfanylpropyl]-4-(pyridin-2-ylmethyl)piperazine?
The canonical SMILES for 1-[3-(2-chlorophenyl)sulfanylpropyl]-4-(pyridin-2-ylmethyl)piperazine is Clc1ccccc1SCCCN1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 1-[3-(2-chlorophenyl)sulfanylpropyl]-4-(pyridin-2-ylmethyl)piperazine?
The InChIKey is ZJWZBLJSACJLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3S/c20-18-7-1-2-8-19(18)24-15-5-10-22-11-13-23(14-12-22)16-17-6-3-4-9-21-17/h1-4,6-9H,5,10-16H2.
What are the key properties of 1-[3-(2-chlorophenyl)sulfanylpropyl]-4-(pyridin-2-ylmethyl)piperazine?
1-[3-(2-chlorophenyl)sulfanylpropyl]-4-(pyridin-2-ylmethyl)piperazine has a molecular weight of 361.94 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenyl)sulfanylpropyl]-4-(pyridin-2-ylmethyl)piperazine is sourced from PubChem (CID 56509108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).