(2-hydroxy-5-methylphenyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

C14H17F3N2O2 — CID 60706667

IUPAC(2-hydroxy-5-methylphenyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESCc1ccc(O)c(C(=O)N2CCN(CC(F)(F)F)CC2)c1
InChIInChI=1S/C14H17F3N2O2/c1-10-2-3-12(20)11(8-10)13(21)19-6-4-18(5-7-19)9-14(15,16)17/h2-3,8,20H,4-7,9H2,1H3
InChIKeyUPSCNZPKTFTCDG-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.02
Rot. Bonds2

About (2-hydroxy-5-methylphenyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

(2-hydroxy-5-methylphenyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 60706667) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is (2-hydroxy-5-methylphenyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-hydroxy-5-methylphenyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID60706667
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name(2-hydroxy-5-methylphenyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESCc1ccc(O)c(C(=O)N2CCN(CC(F)(F)F)CC2)c1
InChIInChI=1S/C14H17F3N2O2/c1-10-2-3-12(20)11(8-10)13(21)19-6-4-18(5-7-19)9-14(15,16)17/h2-3,8,20H,4-7,9H2,1H3
InChIKeyUPSCNZPKTFTCDG-UHFFFAOYSA-N
XLogP2.02
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-hydroxy-5-methylphenyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]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

(2-hydroxy-5-iodophenyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 103606815
1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 46548530
(4-chloropiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 63390640
1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55470896
4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]benzoic acid
CID 62970275
(4-ethylpiperazin-1-yl)-(2-fluoro-4-methylphenyl)methanone
CID 70215264
(2-chlorofuran-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 106685702
(4-chloro-2-iodophenyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 99467417
(2-hydroxy-5-methylphenyl)-(4-propylazepan-1-yl)methanone
CID 62079849
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 8924723
(3,4-dimethylpyrrolidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 79039544
(3-chloropyrrolidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 63398431

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-methylphenyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of (2-hydroxy-5-methylphenyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 60706667) is (2-hydroxy-5-methylphenyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-hydroxy-5-methylphenyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-hydroxy-5-methylphenyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is Cc1ccc(O)c(C(=O)N2CCN(CC(F)(F)F)CC2)c1.
What is the InChIKey of (2-hydroxy-5-methylphenyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is UPSCNZPKTFTCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-10-2-3-12(20)11(8-10)13(21)19-6-4-18(5-7-19)9-14(15,16)17/h2-3,8,20H,4-7,9H2,1H3.
What are the key properties of (2-hydroxy-5-methylphenyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
(2-hydroxy-5-methylphenyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 302.30 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-methylphenyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 60706667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).