(2,5-dimethylphenyl)-(3,3-dimethylpiperazin-1-yl)methanone

C15H22N2O — CID 79506872

IUPAC(2,5-dimethylphenyl)-(3,3-dimethylpiperazin-1-yl)methanone
SMILESCc1ccc(C)c(C(=O)N2CCNC(C)(C)C2)c1
InChIInChI=1S/C15H22N2O/c1-11-5-6-12(2)13(9-11)14(18)17-8-7-16-15(3,4)10-17/h5-6,9,16H,7-8,10H2,1-4H3
InChIKeyYGWVIAYEFUTOTP-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.13
Rot. Bonds1

About (2,5-dimethylphenyl)-(3,3-dimethylpiperazin-1-yl)methanone

(2,5-dimethylphenyl)-(3,3-dimethylpiperazin-1-yl)methanone (PubChem CID 79506872) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-(3,3-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-(3,3-dimethylpiperazin-1-yl)methanone
PubChem CID79506872
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(2,5-dimethylphenyl)-(3,3-dimethylpiperazin-1-yl)methanone
SMILESCc1ccc(C)c(C(=O)N2CCNC(C)(C)C2)c1
InChIInChI=1S/C15H22N2O/c1-11-5-6-12(2)13(9-11)14(18)17-8-7-16-15(3,4)10-17/h5-6,9,16H,7-8,10H2,1-4H3
InChIKeyYGWVIAYEFUTOTP-UHFFFAOYSA-N
XLogP2.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,3-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone
CID 79015249
(3,3-dimethylpiperazin-1-yl)-(2-methyl-4-nitrophenyl)methanone
CID 79506096
(2,5-dimethylphenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone
CID 115276502
1,4-diazepan-1-yl-(2,5-dimethylphenyl)methanone
CID 18071803
4-(2,5-dimethylbenzoyl)piperazin-2-one
CID 31096061
(2-bromophenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 79015131
(3,3-dimethylpiperazin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 79014930
(4-bromo-3-methylphenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 112706000
(3,3-dimethylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone
CID 79507269
(2-bromo-5-chlorophenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 113248341
(3,3-dimethylpiperazin-1-yl)-(3-methyl-4-nitrophenyl)methanone
CID 79507363
(2,6-dihydroxyphenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 107688424

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-(3,3-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (2,5-dimethylphenyl)-(3,3-dimethylpiperazin-1-yl)methanone (CID 79506872) is (2,5-dimethylphenyl)-(3,3-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,5-dimethylphenyl)-(3,3-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (2,5-dimethylphenyl)-(3,3-dimethylpiperazin-1-yl)methanone is Cc1ccc(C)c(C(=O)N2CCNC(C)(C)C2)c1.
What is the InChIKey of (2,5-dimethylphenyl)-(3,3-dimethylpiperazin-1-yl)methanone?
The InChIKey is YGWVIAYEFUTOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-5-6-12(2)13(9-11)14(18)17-8-7-16-15(3,4)10-17/h5-6,9,16H,7-8,10H2,1-4H3.
What are the key properties of (2,5-dimethylphenyl)-(3,3-dimethylpiperazin-1-yl)methanone?
(2,5-dimethylphenyl)-(3,3-dimethylpiperazin-1-yl)methanone has a molecular weight of 246.35 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-(3,3-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 79506872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).