(2,4-dimethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone

C14H20N2O — CID 81426420

IUPAC(2,4-dimethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN[C@H](C)C2)c(C)c1
InChIInChI=1S/C14H20N2O/c1-10-4-5-13(11(2)8-10)14(17)16-7-6-15-12(3)9-16/h4-5,8,12,15H,6-7,9H2,1-3H3/t12-/m1/s1
InChIKeyYFOHUPWSRULHJR-GFCCVEGCSA-N
MW232.33 g/mol
LogP1.74
Rot. Bonds1

About (2,4-dimethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone

(2,4-dimethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone (PubChem CID 81426420) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
PubChem CID81426420
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(2,4-dimethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN[C@H](C)C2)c(C)c1
InChIInChI=1S/C14H20N2O/c1-10-4-5-13(11(2)8-10)14(17)16-7-6-15-12(3)9-16/h4-5,8,12,15H,6-7,9H2,1-3H3/t12-/m1/s1
InChIKeyYFOHUPWSRULHJR-GFCCVEGCSA-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-hydroxy-4-methylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426616
(2-bromo-5-methylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427506
(2-fluoro-5-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426729
(2-methoxy-5-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426724
(5-chloro-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 82883730
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,4-dimethylphenyl)methanone
CID 81483355
4-methyl-5-(3-methylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 119580359
(5-fluoro-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579929
(4-chloro-3-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 113397126
(2,5-difluoro-4-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124695014
(3,4-dimethylphenyl)-[2-(3-methylpiperazine-1-carbonyl)phenyl]methanone
CID 119580638
(2,3-dihydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 104894013

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of (2,4-dimethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone (CID 81426420) is (2,4-dimethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for (2,4-dimethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN[C@H](C)C2)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The InChIKey is YFOHUPWSRULHJR-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-4-5-13(11(2)8-10)14(17)16-7-6-15-12(3)9-16/h4-5,8,12,15H,6-7,9H2,1-3H3/t12-/m1/s1.
What are the key properties of (2,4-dimethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone?
(2,4-dimethylphenyl)-[(3R)-3-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 (2,4-dimethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 81426420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).