(3,3-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone

C14H20N2O — CID 79015249

IUPAC(3,3-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCNC(C)(C)C2)cc1
InChIInChI=1S/C14H20N2O/c1-11-4-6-12(7-5-11)13(17)16-9-8-15-14(2,3)10-16/h4-7,15H,8-10H2,1-3H3
InChIKeyCQEVUUJSQQBWJQ-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.82
Rot. Bonds1

About (3,3-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone

(3,3-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone (PubChem CID 79015249) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (3,3-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(3,3-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone
PubChem CID79015249
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(3,3-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCNC(C)(C)C2)cc1
InChIInChI=1S/C14H20N2O/c1-11-4-6-12(7-5-11)13(17)16-9-8-15-14(2,3)10-16/h4-7,15H,8-10H2,1-3H3
InChIKeyCQEVUUJSQQBWJQ-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,3-dimethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 79014932
(3,4-dichlorophenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 79015493
(4-bromo-3-methylphenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 112706000
(2,5-dimethylphenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 79506872
(3,3-dimethylpiperazin-1-yl)-(3-methyl-4-nitrophenyl)methanone
CID 79507363
(3,3-dimethylpiperazin-1-yl)-(3-iodophenyl)methanone
CID 79505899
(2,6-dihydroxyphenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 107688424
(5-bromothiophen-3-yl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 103722220
(3,3-dimethylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone
CID 79507269
(3,3-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 79506771
(3-hydroxy-3-methylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 115875217
(3,3-dimethylpiperazin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 79014930

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone?
The IUPAC name of (3,3-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone (CID 79015249) is (3,3-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (3,3-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (3,3-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCNC(C)(C)C2)cc1.
What is the InChIKey of (3,3-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone?
The InChIKey is CQEVUUJSQQBWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-4-6-12(7-5-11)13(17)16-9-8-15-14(2,3)10-16/h4-7,15H,8-10H2,1-3H3.
What are the key properties of (3,3-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone?
(3,3-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone has a molecular weight of 232.33 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 79015249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).