1-methyl-4-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidine

C13H18F3N — CID 173170278

IUPAC1-methyl-4-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidine
SMILESCN1CCC(C2=CCCC(C(F)(F)F)=C2)CC1
InChIInChI=1S/C13H18F3N/c1-17-7-5-10(6-8-17)11-3-2-4-12(9-11)13(14,15)16/h3,9-10H,2,4-8H2,1H3
InChIKeyRXFGSLQUDXPSDP-UHFFFAOYSA-N
MW245.29 g/mol
LogP3.54
Rot. Bonds1

About 1-methyl-4-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidine

1-methyl-4-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidine (PubChem CID 173170278) has the molecular formula C13H18F3N and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-methyl-4-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidine
PubChem CID173170278
Molecular FormulaC13H18F3N
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Name1-methyl-4-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidine
SMILESCN1CCC(C2=CCCC(C(F)(F)F)=C2)CC1
InChIInChI=1S/C13H18F3N/c1-17-7-5-10(6-8-17)11-3-2-4-12(9-11)13(14,15)16/h3,9-10H,2,4-8H2,1H3
InChIKeyRXFGSLQUDXPSDP-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Ethyltetrahydroisoquinoline
CID 129739616
1-[(2,6-Difluorocyclohexa-2,4-dien-1-yl)methyl]piperidine
CID 66807098
4-[4-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidine
CID 68363150
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
4-[4-Chloro-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-1-propylpiperidine
CID 89045354
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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidine?
The IUPAC name of 1-methyl-4-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidine (CID 173170278) is 1-methyl-4-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidine.
What is the SMILES notation for 1-methyl-4-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidine?
The canonical SMILES for 1-methyl-4-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidine is CN1CCC(C2=CCCC(C(F)(F)F)=C2)CC1.
What is the InChIKey of 1-methyl-4-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidine?
The InChIKey is RXFGSLQUDXPSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N/c1-17-7-5-10(6-8-17)11-3-2-4-12(9-11)13(14,15)16/h3,9-10H,2,4-8H2,1H3.
What are the key properties of 1-methyl-4-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidine?
1-methyl-4-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidine has a molecular weight of 245.29 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidine is sourced from PubChem (CID 173170278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).