1-(4-chloro-2-methylphenyl)piperazine;hydrochloride

C11H16Cl2N2 — CID 52983551

IUPAC1-(4-chloro-2-methylphenyl)piperazine;hydrochloride
SMILESCc1cc(Cl)ccc1N1CCNCC1.Cl
InChIInChI=1S/C11H15ClN2.ClH/c1-9-8-10(12)2-3-11(9)14-6-4-13-5-7-14;/h2-3,8,13H,4-7H2,1H3;1H
InChIKeyWLPFNHBPBKFTTJ-UHFFFAOYSA-N
MW247.17 g/mol
LogP2.48
Rot. Bonds1

About 1-(4-chloro-2-methylphenyl)piperazine;hydrochloride

1-(4-chloro-2-methylphenyl)piperazine;hydrochloride (PubChem CID 52983551) has the molecular formula C11H16Cl2N2 and a molecular weight of 247.17 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)piperazine;hydrochloride
PubChem CID52983551
Molecular FormulaC11H16Cl2N2
Molecular Weight247.17 g/mol
Exact Mass246.07
IUPAC Name1-(4-chloro-2-methylphenyl)piperazine;hydrochloride
SMILESCc1cc(Cl)ccc1N1CCNCC1.Cl
InChIInChI=1S/C11H15ClN2.ClH/c1-9-8-10(12)2-3-11(9)14-6-4-13-5-7-14;/h2-3,8,13H,4-7H2,1H3;1H
InChIKeyWLPFNHBPBKFTTJ-UHFFFAOYSA-N
XLogP2.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chloro-2-methylphenyl)piperazine;hydrochloride 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 1-(4-chloro-2-methylphenyl)piperazine;hydrochloride?
The IUPAC name of 1-(4-chloro-2-methylphenyl)piperazine;hydrochloride (CID 52983551) is 1-(4-chloro-2-methylphenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)piperazine;hydrochloride?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)piperazine;hydrochloride is Cc1cc(Cl)ccc1N1CCNCC1.Cl.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)piperazine;hydrochloride?
The InChIKey is WLPFNHBPBKFTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2.ClH/c1-9-8-10(12)2-3-11(9)14-6-4-13-5-7-14;/h2-3,8,13H,4-7H2,1H3;1H.
What are the key properties of 1-(4-chloro-2-methylphenyl)piperazine;hydrochloride?
1-(4-chloro-2-methylphenyl)piperazine;hydrochloride has a molecular weight of 247.17 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)piperazine;hydrochloride is sourced from PubChem (CID 52983551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).