4-[7-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidine

C13H16F3N — CID 142862526

IUPAC4-[7-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidine
SMILESFC(F)(F)C1=CC=CCC=C1C1CCNCC1
InChIInChI=1S/C13H16F3N/c14-13(15,16)12-5-3-1-2-4-11(12)10-6-8-17-9-7-10/h1,3-5,10,17H,2,6-9H2
InChIKeyIRPAXUCSWBRSOJ-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.36
Rot. Bonds1

About 4-[7-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidine

4-[7-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidine (PubChem CID 142862526) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-[7-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidine.

Molecular Properties

Compound Name4-[7-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidine
PubChem CID142862526
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name4-[7-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidine
SMILESFC(F)(F)C1=CC=CCC=C1C1CCNCC1
InChIInChI=1S/C13H16F3N/c14-13(15,16)12-5-3-1-2-4-11(12)10-6-8-17-9-7-10/h1,3-5,10,17H,2,6-9H2
InChIKeyIRPAXUCSWBRSOJ-UHFFFAOYSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(Difluoromethylidene)-tetrahydroquinoline
CID 171378030
(2R)-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 68112155
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
N-[1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]propan-1-amine
CID 70842357
(2R,3R)-3-ethyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70903487
1-[(2Z,4E)-4-(difluoromethyl)hepta-2,4,6-trienyl]-3-azabicyclo[3.1.0]hexane
CID 88999694
4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine
CID 89162763
4-[(E)-1-fluorohex-3-en-3-yl]piperidine
CID 89168225
4-(4-Fluorocyclohexa-1,5-dien-1-yl)piperidine
CID 89358489

Frequently Asked Questions

What is the IUPAC name of 4-[7-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidine?
The IUPAC name of 4-[7-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidine (CID 142862526) is 4-[7-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidine.
What is the SMILES notation for 4-[7-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidine?
The canonical SMILES for 4-[7-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidine is FC(F)(F)C1=CC=CCC=C1C1CCNCC1.
What is the InChIKey of 4-[7-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidine?
The InChIKey is IRPAXUCSWBRSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c14-13(15,16)12-5-3-1-2-4-11(12)10-6-8-17-9-7-10/h1,3-5,10,17H,2,6-9H2.
What are the key properties of 4-[7-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidine?
4-[7-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidine has a molecular weight of 243.27 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidine is sourced from PubChem (CID 142862526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).