(2,5-dimethylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone

C14H20N2O — CID 82704843

IUPAC(2,5-dimethylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
SMILESCc1ccc(C)c(C(=O)N2CCNC[C@@H]2C)c1
InChIInChI=1S/C14H20N2O/c1-10-4-5-11(2)13(8-10)14(17)16-7-6-15-9-12(16)3/h4-5,8,12,15H,6-7,9H2,1-3H3/t12-/m0/s1
InChIKeyQXRGIYCQUBHRGM-LBPRGKRZSA-N
MW232.33 g/mol
LogP1.74
Rot. Bonds1

About (2,5-dimethylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone

(2,5-dimethylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone (PubChem CID 82704843) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
PubChem CID82704843
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(2,5-dimethylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
SMILESCc1ccc(C)c(C(=O)N2CCNC[C@@H]2C)c1
InChIInChI=1S/C14H20N2O/c1-10-4-5-11(2)13(8-10)14(17)16-7-6-15-9-12(16)3/h4-5,8,12,15H,6-7,9H2,1-3H3/t12-/m0/s1
InChIKeyQXRGIYCQUBHRGM-LBPRGKRZSA-N
XLogP1.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-5-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82756036
(2-bromo-5-methylphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82755048
(5-fluoro-2-methylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 63047401
(2-fluoro-4-methylphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472703
(2-hydroxy-4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82756335
(2-methyl-5-methylsulfanylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 119471531
(4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705562
(2,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone
CID 120572277
(2,5-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120734041
(2,4-dihydroxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672945
(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705081
N-(4-fluorophenyl)-4-methyl-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119470414

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone?
The IUPAC name of (2,5-dimethylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone (CID 82704843) is (2,5-dimethylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone is Cc1ccc(C)c(C(=O)N2CCNC[C@@H]2C)c1.
What is the InChIKey of (2,5-dimethylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone?
The InChIKey is QXRGIYCQUBHRGM-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-4-5-11(2)13(8-10)14(17)16-7-6-15-9-12(16)3/h4-5,8,12,15H,6-7,9H2,1-3H3/t12-/m0/s1.
What are the key properties of (2,5-dimethylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone?
(2,5-dimethylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone has a molecular weight of 232.33 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 82704843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).