1-methyl-4-[6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]piperidine

C14H18F3N — CID 142009760

IUPAC1-methyl-4-[6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]piperidine
SMILESCN1CCC(C2=CC=CCC(C(F)(F)F)=C2)CC1
InChIInChI=1S/C14H18F3N/c1-18-8-6-11(7-9-18)12-4-2-3-5-13(10-12)14(15,16)17/h2-4,10-11H,5-9H2,1H3
InChIKeyJZIKHNGOWLDOPU-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.70
Rot. Bonds1

About 1-methyl-4-[6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]piperidine

1-methyl-4-[6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]piperidine (PubChem CID 142009760) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-methyl-4-[6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]piperidine
PubChem CID142009760
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name1-methyl-4-[6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]piperidine
SMILESCN1CCC(C2=CC=CCC(C(F)(F)F)=C2)CC1
InChIInChI=1S/C14H18F3N/c1-18-8-6-11(7-9-18)12-4-2-3-5-13(10-12)14(15,16)17/h2-4,10-11H,5-9H2,1H3
InChIKeyJZIKHNGOWLDOPU-UHFFFAOYSA-N
XLogP3.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-4-[6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]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

4-Cyclopenta-1,3-dien-1-yl-1-methylpiperidine
CID 12982244
2-Ethyltetrahydroisoquinoline
CID 129739616
1-[(2,6-Difluorocyclohexa-2,4-dien-1-yl)methyl]piperidine
CID 66807098
1-[2-(1-Fluorocyclohexa-2,4-dien-1-yl)ethyl]-4-methylidenepiperidine
CID 69593663
1-[2-(4-Fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine
CID 70819928
2-methyl-6-(trifluoromethyl)-3,4,4a,8a-tetrahydro-1H-isoquinoline
CID 70836536
(8aS)-2-methyl-6-(trifluoromethyl)-3,4,4a,8a-tetrahydro-1H-isoquinoline
CID 70836557
1-Ethyl-4-[4-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine
CID 70954594
1-[(2E,3Z)-2-(2-fluoroethylidene)hexa-3,5-dienyl]-4-methylpiperidine
CID 89297752
1-[(4E,6Z,8E)-6-methyl-8-(trifluoromethyl)deca-4,6,8-trienyl]piperidine
CID 89355344
2-ethyl-8-(trifluoromethyl)-3,4,8,8a-tetrahydro-1H-isoquinoline
CID 89514082
2-ethyl-6-fluoro-3,4,8,8a-tetrahydro-1H-isoquinoline
CID 89514110

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]piperidine?
The IUPAC name of 1-methyl-4-[6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]piperidine (CID 142009760) is 1-methyl-4-[6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]piperidine.
What is the SMILES notation for 1-methyl-4-[6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]piperidine?
The canonical SMILES for 1-methyl-4-[6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]piperidine is CN1CCC(C2=CC=CCC(C(F)(F)F)=C2)CC1.
What is the InChIKey of 1-methyl-4-[6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]piperidine?
The InChIKey is JZIKHNGOWLDOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-18-8-6-11(7-9-18)12-4-2-3-5-13(10-12)14(15,16)17/h2-4,10-11H,5-9H2,1H3.
What are the key properties of 1-methyl-4-[6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]piperidine?
1-methyl-4-[6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]piperidine has a molecular weight of 257.30 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]piperidine is sourced from PubChem (CID 142009760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).