1-[(2-chlorophenyl)methyl]-4-sulfanylpiperazine

C11H15ClN2S — CID 135200099

IUPAC1-[(2-chlorophenyl)methyl]-4-sulfanylpiperazine
SMILESSN1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C11H15ClN2S/c12-11-4-2-1-3-10(11)9-13-5-7-14(15)8-6-13/h1-4,15H,5-9H2
InChIKeyADXGEPWAKGLTHH-UHFFFAOYSA-N
MW242.78 g/mol
LogP2.30
Rot. Bonds2

About 1-[(2-chlorophenyl)methyl]-4-sulfanylpiperazine

1-[(2-chlorophenyl)methyl]-4-sulfanylpiperazine (PubChem CID 135200099) has the molecular formula C11H15ClN2S and a molecular weight of 242.78 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4-sulfanylpiperazine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-4-sulfanylpiperazine
PubChem CID135200099
Molecular FormulaC11H15ClN2S
Molecular Weight242.78 g/mol
Exact Mass242.06
IUPAC Name1-[(2-chlorophenyl)methyl]-4-sulfanylpiperazine
SMILESSN1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C11H15ClN2S/c12-11-4-2-1-3-10(11)9-13-5-7-14(15)8-6-13/h1-4,15H,5-9H2
InChIKeyADXGEPWAKGLTHH-UHFFFAOYSA-N
XLogP2.30
TPSA6.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.78
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chlorophenyl)methyl]azepane
CID 17017924
1-[(2-chlorophenyl)methyl]-4-phenylpiperazine
CID 765042
1-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine
CID 764693
1-[(2-chlorophenyl)methyl]-3-methylimidazolidine
CID 129042674
3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propanenitrile
CID 54856451
2-[(4-sulfanylpiperazin-1-yl)methyl]benzonitrile
CID 135177597
1-[(2-chlorophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine
CID 1126217
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone
CID 155674268
(4-chlorophenyl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19294991
1-[(4-bromophenyl)methyl]-4-[(2-chlorophenyl)methyl]piperazine;oxalic acid
CID 90486163
1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 3889228
3-chloro-1-[(2-chlorophenyl)methyl]pyrrolidine
CID 63388048

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-4-sulfanylpiperazine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-4-sulfanylpiperazine (CID 135200099) is 1-[(2-chlorophenyl)methyl]-4-sulfanylpiperazine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4-sulfanylpiperazine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4-sulfanylpiperazine is SN1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4-sulfanylpiperazine?
The InChIKey is ADXGEPWAKGLTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2S/c12-11-4-2-1-3-10(11)9-13-5-7-14(15)8-6-13/h1-4,15H,5-9H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]-4-sulfanylpiperazine?
1-[(2-chlorophenyl)methyl]-4-sulfanylpiperazine has a molecular weight of 242.78 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-4-sulfanylpiperazine is sourced from PubChem (CID 135200099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).