(2S)-2-(2,4-dimethylphenyl)piperazine

C12H18N2 — CID 55264314

IUPAC(2S)-2-(2,4-dimethylphenyl)piperazine
SMILESCc1ccc([C@H]2CNCCN2)c(C)c1
InChIInChI=1S/C12H18N2/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/t12-/m1/s1
InChIKeyXRFFLIAWYLCZFV-GFCCVEGCSA-N
MW190.29 g/mol
LogP1.54
Rot. Bonds1

About (2S)-2-(2,4-dimethylphenyl)piperazine

(2S)-2-(2,4-dimethylphenyl)piperazine (PubChem CID 55264314) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (2S)-2-(2,4-dimethylphenyl)piperazine.

Molecular Properties

Compound Name(2S)-2-(2,4-dimethylphenyl)piperazine
PubChem CID55264314
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(2S)-2-(2,4-dimethylphenyl)piperazine
SMILESCc1ccc([C@H]2CNCCN2)c(C)c1
InChIInChI=1S/C12H18N2/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/t12-/m1/s1
InChIKeyXRFFLIAWYLCZFV-GFCCVEGCSA-N
XLogP1.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2,4-dimethylphenyl)piperazine;hydrochloride
CID 171194638
3-methyl-4-[(2S)-piperazin-2-yl]phenol
CID 55265321
3-methyl-4-[(2S)-piperazin-2-yl]aniline
CID 130956222
2-(2-methylphenyl)piperazine;dihydrochloride
CID 70608733
3-(2,4-dimethylphenyl)piperidine
CID 10535662
2-(2,4-dimethylphenyl)-N-methylpiperidin-4-amine
CID 117000343
2-methyl-3-piperazin-2-ylaniline
CID 122512540
(2R)-2-(3-fluoro-2-methylphenyl)piperazine
CID 131101116
(2S)-2-(3-fluoro-2-methylphenyl)piperazine
CID 55264820
6-(2,4-dimethylphenyl)-3-azabicyclo[3.1.0]hexane
CID 83817723
4-[(2S)-piperazin-2-yl]benzene-1,3-diol;hydrochloride
CID 171193580
2-(5-tert-butyl-4-methoxy-2-methylphenyl)piperazine
CID 82302997

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dimethylphenyl)piperazine?
The IUPAC name of (2S)-2-(2,4-dimethylphenyl)piperazine (CID 55264314) is (2S)-2-(2,4-dimethylphenyl)piperazine.
What is the SMILES notation for (2S)-2-(2,4-dimethylphenyl)piperazine?
The canonical SMILES for (2S)-2-(2,4-dimethylphenyl)piperazine is Cc1ccc([C@H]2CNCCN2)c(C)c1.
What is the InChIKey of (2S)-2-(2,4-dimethylphenyl)piperazine?
The InChIKey is XRFFLIAWYLCZFV-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H18N2/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/t12-/m1/s1.
What are the key properties of (2S)-2-(2,4-dimethylphenyl)piperazine?
(2S)-2-(2,4-dimethylphenyl)piperazine has a molecular weight of 190.29 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dimethylphenyl)piperazine is sourced from PubChem (CID 55264314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).