(2R)-2-[2-(4-chlorophenyl)sulfanylphenyl]piperazine

C16H17ClN2S — CID 171194707

IUPAC(2R)-2-[2-(4-chlorophenyl)sulfanylphenyl]piperazine
SMILESClc1ccc(Sc2ccccc2[C@@H]2CNCCN2)cc1
InChIInChI=1S/C16H17ClN2S/c17-12-5-7-13(8-6-12)20-16-4-2-1-3-14(16)15-11-18-9-10-19-15/h1-8,15,18-19H,9-11H2/t15-/m0/s1
InChIKeyZFBGBVOPNKRQFW-HNNXBMFYSA-N
MW304.85 g/mol
LogP3.73
Rot. Bonds3

About (2R)-2-[2-(4-chlorophenyl)sulfanylphenyl]piperazine

(2R)-2-[2-(4-chlorophenyl)sulfanylphenyl]piperazine (PubChem CID 171194707) has the molecular formula C16H17ClN2S and a molecular weight of 304.85 g/mol. Its IUPAC name is (2R)-2-[2-(4-chlorophenyl)sulfanylphenyl]piperazine.

Molecular Properties

Compound Name(2R)-2-[2-(4-chlorophenyl)sulfanylphenyl]piperazine
PubChem CID171194707
Molecular FormulaC16H17ClN2S
Molecular Weight304.85 g/mol
Exact Mass304.08
IUPAC Name(2R)-2-[2-(4-chlorophenyl)sulfanylphenyl]piperazine
SMILESClc1ccc(Sc2ccccc2[C@@H]2CNCCN2)cc1
InChIInChI=1S/C16H17ClN2S/c17-12-5-7-13(8-6-12)20-16-4-2-1-3-14(16)15-11-18-9-10-19-15/h1-8,15,18-19H,9-11H2/t15-/m0/s1
InChIKeyZFBGBVOPNKRQFW-HNNXBMFYSA-N
XLogP3.73
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.85
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(4-chlorophenyl)sulfanylphenyl]piperazine?
The IUPAC name of (2R)-2-[2-(4-chlorophenyl)sulfanylphenyl]piperazine (CID 171194707) is (2R)-2-[2-(4-chlorophenyl)sulfanylphenyl]piperazine.
What is the SMILES notation for (2R)-2-[2-(4-chlorophenyl)sulfanylphenyl]piperazine?
The canonical SMILES for (2R)-2-[2-(4-chlorophenyl)sulfanylphenyl]piperazine is Clc1ccc(Sc2ccccc2[C@@H]2CNCCN2)cc1.
What is the InChIKey of (2R)-2-[2-(4-chlorophenyl)sulfanylphenyl]piperazine?
The InChIKey is ZFBGBVOPNKRQFW-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17ClN2S/c17-12-5-7-13(8-6-12)20-16-4-2-1-3-14(16)15-11-18-9-10-19-15/h1-8,15,18-19H,9-11H2/t15-/m0/s1.
What are the key properties of (2R)-2-[2-(4-chlorophenyl)sulfanylphenyl]piperazine?
(2R)-2-[2-(4-chlorophenyl)sulfanylphenyl]piperazine has a molecular weight of 304.85 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(4-chlorophenyl)sulfanylphenyl]piperazine is sourced from PubChem (CID 171194707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).