(2R)-2-(2,4-dimethylphenyl)piperazine;hydrochloride

C12H19ClN2 — CID 171194638

IUPAC(2R)-2-(2,4-dimethylphenyl)piperazine;hydrochloride
SMILESCc1ccc([C@@H]2CNCCN2)c(C)c1.Cl
InChIInChI=1S/C12H18N2.ClH/c1-9-3-4-11(10(2)7-9)12-8-13-5-6-14-12;/h3-4,7,12-14H,5-6,8H2,1-2H3;1H/t12-;/m0./s1
InChIKeyVWSMOGLSJNJNTL-YDALLXLXSA-N
MW226.75 g/mol
LogP1.96
Rot. Bonds1

About (2R)-2-(2,4-dimethylphenyl)piperazine;hydrochloride

(2R)-2-(2,4-dimethylphenyl)piperazine;hydrochloride (PubChem CID 171194638) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is (2R)-2-(2,4-dimethylphenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(2,4-dimethylphenyl)piperazine;hydrochloride
PubChem CID171194638
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name(2R)-2-(2,4-dimethylphenyl)piperazine;hydrochloride
SMILESCc1ccc([C@@H]2CNCCN2)c(C)c1.Cl
InChIInChI=1S/C12H18N2.ClH/c1-9-3-4-11(10(2)7-9)12-8-13-5-6-14-12;/h3-4,7,12-14H,5-6,8H2,1-2H3;1H/t12-;/m0./s1
InChIKeyVWSMOGLSJNJNTL-YDALLXLXSA-N
XLogP1.96
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2,4-dimethylphenyl)piperazine
CID 55264314
3-methyl-4-[(2S)-piperazin-2-yl]aniline
CID 130956222
3-methyl-4-[(2S)-piperazin-2-yl]phenol
CID 55265321
2-(2-methylphenyl)piperazine;dihydrochloride
CID 70608733
4-[(2S)-piperazin-2-yl]benzene-1,3-diol;hydrochloride
CID 171193580
3-(2,4-dimethylphenyl)piperidine
CID 10535662
2-(2,4-dimethylphenyl)-N-methylpiperidin-4-amine
CID 117000343
(2R)-2-(2,4-dimethoxyphenyl)piperazine;hydrochloride
CID 171194245
(2S)-2-(3-fluoro-2-methylphenyl)piperazine
CID 55264820
(2R)-2-(3-fluoro-2-methylphenyl)piperazine
CID 131101116
2-methyl-3-piperazin-2-ylaniline
CID 122512540
(2R)-2-(4-fluoro-3-methylphenyl)piperazine;hydrochloride
CID 171194333

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dimethylphenyl)piperazine;hydrochloride?
The IUPAC name of (2R)-2-(2,4-dimethylphenyl)piperazine;hydrochloride (CID 171194638) is (2R)-2-(2,4-dimethylphenyl)piperazine;hydrochloride.
What is the SMILES notation for (2R)-2-(2,4-dimethylphenyl)piperazine;hydrochloride?
The canonical SMILES for (2R)-2-(2,4-dimethylphenyl)piperazine;hydrochloride is Cc1ccc([C@@H]2CNCCN2)c(C)c1.Cl.
What is the InChIKey of (2R)-2-(2,4-dimethylphenyl)piperazine;hydrochloride?
The InChIKey is VWSMOGLSJNJNTL-YDALLXLXSA-N. The full InChI is InChI=1S/C12H18N2.ClH/c1-9-3-4-11(10(2)7-9)12-8-13-5-6-14-12;/h3-4,7,12-14H,5-6,8H2,1-2H3;1H/t12-;/m0./s1.
What are the key properties of (2R)-2-(2,4-dimethylphenyl)piperazine;hydrochloride?
(2R)-2-(2,4-dimethylphenyl)piperazine;hydrochloride has a molecular weight of 226.75 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dimethylphenyl)piperazine;hydrochloride is sourced from PubChem (CID 171194638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).