(3S)-1-[2-(5-chloro-2-ethylphenyl)ethyl]-3-methylpiperazine

C15H23ClN2 — CID 135168661

IUPAC(3S)-1-[2-(5-chloro-2-ethylphenyl)ethyl]-3-methylpiperazine
SMILESCCc1ccc(Cl)cc1CCN1CCN[C@@H](C)C1
InChIInChI=1S/C15H23ClN2/c1-3-13-4-5-15(16)10-14(13)6-8-18-9-7-17-12(2)11-18/h4-5,10,12,17H,3,6-9,11H2,1-2H3/t12-/m0/s1
InChIKeyMUQAYPFOGMZXPJ-LBPRGKRZSA-N
MW266.82 g/mol
LogP2.74
Rot. Bonds4

About (3S)-1-[2-(5-chloro-2-ethylphenyl)ethyl]-3-methylpiperazine

(3S)-1-[2-(5-chloro-2-ethylphenyl)ethyl]-3-methylpiperazine (PubChem CID 135168661) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is (3S)-1-[2-(5-chloro-2-ethylphenyl)ethyl]-3-methylpiperazine.

Molecular Properties

Compound Name(3S)-1-[2-(5-chloro-2-ethylphenyl)ethyl]-3-methylpiperazine
PubChem CID135168661
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name(3S)-1-[2-(5-chloro-2-ethylphenyl)ethyl]-3-methylpiperazine
SMILESCCc1ccc(Cl)cc1CCN1CCN[C@@H](C)C1
InChIInChI=1S/C15H23ClN2/c1-3-13-4-5-15(16)10-14(13)6-8-18-9-7-17-12(2)11-18/h4-5,10,12,17H,3,6-9,11H2,1-2H3/t12-/m0/s1
InChIKeyMUQAYPFOGMZXPJ-LBPRGKRZSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-1-[2-(5-chloro-2-ethylphenyl)ethyl]-3-methylpiperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(5-chloro-2-ethylphenyl)ethyl]-3-methylpiperazine?
The IUPAC name of (3S)-1-[2-(5-chloro-2-ethylphenyl)ethyl]-3-methylpiperazine (CID 135168661) is (3S)-1-[2-(5-chloro-2-ethylphenyl)ethyl]-3-methylpiperazine.
What is the SMILES notation for (3S)-1-[2-(5-chloro-2-ethylphenyl)ethyl]-3-methylpiperazine?
The canonical SMILES for (3S)-1-[2-(5-chloro-2-ethylphenyl)ethyl]-3-methylpiperazine is CCc1ccc(Cl)cc1CCN1CCN[C@@H](C)C1.
What is the InChIKey of (3S)-1-[2-(5-chloro-2-ethylphenyl)ethyl]-3-methylpiperazine?
The InChIKey is MUQAYPFOGMZXPJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-3-13-4-5-15(16)10-14(13)6-8-18-9-7-17-12(2)11-18/h4-5,10,12,17H,3,6-9,11H2,1-2H3/t12-/m0/s1.
What are the key properties of (3S)-1-[2-(5-chloro-2-ethylphenyl)ethyl]-3-methylpiperazine?
(3S)-1-[2-(5-chloro-2-ethylphenyl)ethyl]-3-methylpiperazine has a molecular weight of 266.82 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(5-chloro-2-ethylphenyl)ethyl]-3-methylpiperazine is sourced from PubChem (CID 135168661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).