(2,4-dimethylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone

C15H22N2O — CID 71877125

IUPAC(2,4-dimethylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(C)CC2C)c(C)c1
InChIInChI=1S/C15H22N2O/c1-11-5-6-14(12(2)9-11)15(18)17-8-7-16(4)10-13(17)3/h5-6,9,13H,7-8,10H2,1-4H3
InChIKeyHEFOIPFXMMPPML-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.08
Rot. Bonds1

About (2,4-dimethylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone

(2,4-dimethylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone (PubChem CID 71877125) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
PubChem CID71877125
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(2,4-dimethylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(C)CC2C)c(C)c1
InChIInChI=1S/C15H22N2O/c1-11-5-6-14(12(2)9-11)15(18)17-8-7-16(4)10-13(17)3/h5-6,9,13H,7-8,10H2,1-4H3
InChIKeyHEFOIPFXMMPPML-UHFFFAOYSA-N
XLogP2.08
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dimethyl-1,4-diazepan-1-yl)-(4-fluoro-2-methylphenyl)methanone
CID 114086778
(2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 925313
(2,4-dimethylpiperazin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 113233774
5-[(2S)-2,4-dimethylpiperazine-1-carbonyl]-2,4-dimethylbenzenesulfonamide
CID 97067605
(2,5-dimethoxyphenyl)-[(2S)-2,4-dimethylpiperazin-1-yl]methanone
CID 97094005
(3,4-dihydroxyphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 103957022
(2,4-dimethylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331516
[(2S)-2,4-dimethylpiperazin-1-yl]-(2-fluoro-5-methoxy-4-methylphenyl)methanone
CID 146329900
(4-bromo-3-methylphenyl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone
CID 114086848
(2,4-dimethylpiperazin-1-yl)-(7-fluoro-2-methylquinolin-3-yl)methanone
CID 71877137
(2,4-dimethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426420
(5-bromothiophen-2-yl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 71877365

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (2,4-dimethylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone (CID 71877125) is (2,4-dimethylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,4-dimethylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (2,4-dimethylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone is Cc1ccc(C(=O)N2CCN(C)CC2C)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone?
The InChIKey is HEFOIPFXMMPPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-5-6-14(12(2)9-11)15(18)17-8-7-16(4)10-13(17)3/h5-6,9,13H,7-8,10H2,1-4H3.
What are the key properties of (2,4-dimethylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone?
(2,4-dimethylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone has a molecular weight of 246.35 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 71877125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).