4-[5-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypiperidine

C13H18F3NO — CID 162578474

IUPAC4-[5-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypiperidine
SMILESCC1=CC(C(F)(F)F)=CC(OC2CCNCC2)C1
InChIInChI=1S/C13H18F3NO/c1-9-6-10(13(14,15)16)8-12(7-9)18-11-2-4-17-5-3-11/h6,8,11-12,17H,2-5,7H2,1H3
InChIKeyPAEWNCZFXYJSSD-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.96
Rot. Bonds2

About 4-[5-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypiperidine

4-[5-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypiperidine (PubChem CID 162578474) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 4-[5-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypiperidine.

Molecular Properties

Compound Name4-[5-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypiperidine
PubChem CID162578474
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name4-[5-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypiperidine
SMILESCC1=CC(C(F)(F)F)=CC(OC2CCNCC2)C1
InChIInChI=1S/C13H18F3NO/c1-9-6-10(13(14,15)16)8-12(7-9)18-11-2-4-17-5-3-11/h6,8,11-12,17H,2-5,7H2,1H3
InChIKeyPAEWNCZFXYJSSD-UHFFFAOYSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[5-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypiperidine 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

N-[(2E,4Z)-2-prop-1-en-2-yl-4-(2,2,2-trifluoro-1-methoxyethyl)hexa-2,4-dienyl]piperidin-3-amine
CID 59125455
2-(4,6-Difluorocyclohexa-1,3-dien-1-yl)morpholine
CID 69965133
4-(4-Fluorocyclohexa-2,4-dien-1-yl)oxypiperidine
CID 89672767
1-Ethyl-4-(2-ethyl-6,6,6-trifluoro-5-methylhexa-2,4-dienoxy)piperidine
CID 90703251
2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]morpholine
CID 118312426
4-[[(2E)-2-ethyl-4-fluoropenta-2,4-dienoxy]methyl]-4-fluoropiperidine
CID 138516487
4-[[4-Fluoro-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methoxy]piperidine
CID 140229680
4-[2-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine
CID 142028547
4-Cyclohexa-1,5-dien-1-yloxy-3,3-difluoropiperidine;ethane
CID 142380154
4-[[5-Methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]piperidine
CID 142853164
4-[(2E,4E)-4,6-difluorohepta-2,4,6-trien-2-yl]-4-methoxypiperidine
CID 143792353
4-[2-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypiperidine
CID 145651622

Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypiperidine?
The IUPAC name of 4-[5-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypiperidine (CID 162578474) is 4-[5-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypiperidine.
What is the SMILES notation for 4-[5-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypiperidine?
The canonical SMILES for 4-[5-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypiperidine is CC1=CC(C(F)(F)F)=CC(OC2CCNCC2)C1.
What is the InChIKey of 4-[5-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypiperidine?
The InChIKey is PAEWNCZFXYJSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-9-6-10(13(14,15)16)8-12(7-9)18-11-2-4-17-5-3-11/h6,8,11-12,17H,2-5,7H2,1H3.
What are the key properties of 4-[5-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypiperidine?
4-[5-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypiperidine has a molecular weight of 261.29 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypiperidine is sourced from PubChem (CID 162578474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).