1-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperidine

C13H18F3N — CID 142221826

IUPAC1-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperidine
SMILESFC(F)(F)C1=CCCC=C1CN1CCCCC1
InChIInChI=1S/C13H18F3N/c14-13(15,16)12-7-3-2-6-11(12)10-17-8-4-1-5-9-17/h6-7H,1-5,8-10H2
InChIKeySRWYLBUWTNUHLJ-UHFFFAOYSA-N
MW245.29 g/mol
LogP3.68
Rot. Bonds2

About 1-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperidine

1-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperidine (PubChem CID 142221826) has the molecular formula C13H18F3N and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperidine
PubChem CID142221826
Molecular FormulaC13H18F3N
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Name1-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperidine
SMILESFC(F)(F)C1=CCCC=C1CN1CCCCC1
InChIInChI=1S/C13H18F3N/c14-13(15,16)12-7-3-2-6-11(12)10-17-8-4-1-5-9-17/h6-7H,1-5,8-10H2
InChIKeySRWYLBUWTNUHLJ-UHFFFAOYSA-N
XLogP3.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]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

1-(1-Fluorocyclohexa-2,4-dien-1-yl)piperidine
CID 22637767
1-(1,6-Difluorocyclohexa-2,4-dien-1-yl)piperidine
CID 23123419
1-[(2,6-Difluorocyclohexa-2,4-dien-1-yl)methyl]piperidine
CID 66807098
8-(trifluoromethyl)-2,3,4,6-tetrahydro-1H-quinolizine
CID 67020339
1-[2-(1-Fluorocyclohexa-2,4-dien-1-yl)ethyl]-4-methylidenepiperidine
CID 69593663
1-[(4E,6Z,8E)-6-methyl-8-(trifluoromethyl)deca-4,6,8-trienyl]piperidine
CID 89355344
1-[2-(Trifluoromethyl)cyclohexa-2,5-dien-1-yl]piperidine
CID 91187711
1-[5-(Trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine
CID 91262904
1-[(6-Fluorocyclohexa-2,4-dien-1-yl)methyl]piperidine
CID 123163019
1-(2-Ethenylbut-2-enyl)-3,3-difluoropiperidine
CID 123339362
1-[(4-Fluorocyclohexa-1,3-dien-1-yl)methyl]-4-methylpiperazine
CID 123342972
1-[(2-Fluorocyclohepta-1,3-dien-1-yl)methyl]piperidine
CID 123396512

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperidine?
The IUPAC name of 1-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperidine (CID 142221826) is 1-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperidine.
What is the SMILES notation for 1-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperidine?
The canonical SMILES for 1-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperidine is FC(F)(F)C1=CCCC=C1CN1CCCCC1.
What is the InChIKey of 1-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperidine?
The InChIKey is SRWYLBUWTNUHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N/c14-13(15,16)12-7-3-2-6-11(12)10-17-8-4-1-5-9-17/h6-7H,1-5,8-10H2.
What are the key properties of 1-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperidine?
1-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperidine has a molecular weight of 245.29 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperidine is sourced from PubChem (CID 142221826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).