(3,3-dimethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone

C14H17F3N2O — CID 79014932

IUPAC(3,3-dimethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESCC1(C)CN(C(=O)c2ccc(C(F)(F)F)cc2)CCN1
InChIInChI=1S/C14H17F3N2O/c1-13(2)9-19(8-7-18-13)12(20)10-3-5-11(6-4-10)14(15,16)17/h3-6,18H,7-9H2,1-2H3
InChIKeySFWBASJXJZDFAR-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.53
Rot. Bonds1

About (3,3-dimethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone

(3,3-dimethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 79014932) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is (3,3-dimethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(3,3-dimethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID79014932
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name(3,3-dimethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESCC1(C)CN(C(=O)c2ccc(C(F)(F)F)cc2)CCN1
InChIInChI=1S/C14H17F3N2O/c1-13(2)9-19(8-7-18-13)12(20)10-3-5-11(6-4-10)14(15,16)17/h3-6,18H,7-9H2,1-2H3
InChIKeySFWBASJXJZDFAR-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3,3-dimethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,3-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone
CID 79015249
(3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 103727414
(4-bromo-3-methylphenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 112706000
(3,3-dimethylpiperazin-1-yl)-(3-iodophenyl)methanone
CID 79505899
(3,3-dimethylpiperazin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 79014930
(4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride
CID 53350752
(3,3-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 79506771
(3,3-dimethylpiperazin-1-yl)-(3-methyl-4-nitrophenyl)methanone
CID 79507363
(4,4-dimethoxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 84582397
thiomorpholin-4-yl-[4-(trifluoromethyl)phenyl]methanone
CID 146080386
[4-(4-bromobenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108534348
N-[[5-[4-(3,3-dimethylpiperazine-1-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]formamide
CID 144770744

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (3,3-dimethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone (CID 79014932) is (3,3-dimethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (3,3-dimethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (3,3-dimethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone is CC1(C)CN(C(=O)c2ccc(C(F)(F)F)cc2)CCN1.
What is the InChIKey of (3,3-dimethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is SFWBASJXJZDFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-13(2)9-19(8-7-18-13)12(20)10-3-5-11(6-4-10)14(15,16)17/h3-6,18H,7-9H2,1-2H3.
What are the key properties of (3,3-dimethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone?
(3,3-dimethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 286.30 g/mol, XLogP of 2.53, 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-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 79014932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).