3-[2-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethyl]piperidine

C14H20F3N — CID 166104421

IUPAC3-[2-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethyl]piperidine
SMILESFC(F)(F)C1=CCCC=C1CCC1CCCNC1
InChIInChI=1S/C14H20F3N/c15-14(16,17)13-6-2-1-5-12(13)8-7-11-4-3-9-18-10-11/h5-6,11,18H,1-4,7-10H2
InChIKeyKQIJLFLDSQOKPW-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.98
Rot. Bonds3

About 3-[2-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethyl]piperidine

3-[2-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethyl]piperidine (PubChem CID 166104421) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[2-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethyl]piperidine.

Molecular Properties

Compound Name3-[2-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethyl]piperidine
PubChem CID166104421
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name3-[2-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethyl]piperidine
SMILESFC(F)(F)C1=CCCC=C1CCC1CCCNC1
InChIInChI=1S/C14H20F3N/c15-14(16,17)13-6-2-1-5-12(13)8-7-11-4-3-9-18-10-11/h5-6,11,18H,1-4,7-10H2
InChIKeyKQIJLFLDSQOKPW-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[2-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethyl]piperidine 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

Octahydrobenz[h]isoquinoline
CID 56633701
(2R)-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 68112155
1-[1-[(5R)-2,5-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]heptyl]piperazine
CID 68330524
4-[4-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidine
CID 68363150
6-(Trifluoromethyl)-11-azabicyclo[7.3.1]trideca-2,4,6-triene
CID 69530943
5,6-Difluoro-11-azabicyclo[7.3.1]trideca-2,4,6-triene
CID 69826954
(2R)-4-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70327342
(2R,3R)-3-ethyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70903487
1-Ethyl-4-[4-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine
CID 70954594
4-(4-Fluorocyclohexen-1-yl)piperidine
CID 89168221
4-(4-Fluorocyclohexa-1,5-dien-1-yl)piperidine
CID 89358489
4-(4-Fluorocyclohexa-1,3-dien-1-yl)piperidine
CID 89358844

Frequently Asked Questions

What is the IUPAC name of 3-[2-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethyl]piperidine?
The IUPAC name of 3-[2-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethyl]piperidine (CID 166104421) is 3-[2-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethyl]piperidine.
What is the SMILES notation for 3-[2-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethyl]piperidine?
The canonical SMILES for 3-[2-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethyl]piperidine is FC(F)(F)C1=CCCC=C1CCC1CCCNC1.
What is the InChIKey of 3-[2-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethyl]piperidine?
The InChIKey is KQIJLFLDSQOKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c15-14(16,17)13-6-2-1-5-12(13)8-7-11-4-3-9-18-10-11/h5-6,11,18H,1-4,7-10H2.
What are the key properties of 3-[2-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethyl]piperidine?
3-[2-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethyl]piperidine has a molecular weight of 259.31 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethyl]piperidine is sourced from PubChem (CID 166104421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).