1,4-dimethyl-4-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine

C15H22F3N — CID 158423370

IUPAC1,4-dimethyl-4-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
SMILESCN1CCC(C)(C2(C)C=C(C(F)(F)F)C=CC2)CC1
InChIInChI=1S/C15H22F3N/c1-13(7-9-19(3)10-8-13)14(2)6-4-5-12(11-14)15(16,17)18/h4-5,11H,6-10H2,1-3H3
InChIKeyHATGFWCPFNWJFS-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.17
Rot. Bonds1

About 1,4-dimethyl-4-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine

1,4-dimethyl-4-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine (PubChem CID 158423370) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is 1,4-dimethyl-4-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine.

Molecular Properties

Compound Name1,4-dimethyl-4-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
PubChem CID158423370
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name1,4-dimethyl-4-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
SMILESCN1CCC(C)(C2(C)C=C(C(F)(F)F)C=CC2)CC1
InChIInChI=1S/C15H22F3N/c1-13(7-9-19(3)10-8-13)14(2)6-4-5-12(11-14)15(16,17)18/h4-5,11H,6-10H2,1-3H3
InChIKeyHATGFWCPFNWJFS-UHFFFAOYSA-N
XLogP4.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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-(4-Methylcyclohexa-1,5-dien-1-yl)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexane
CID 71216739
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
1-Methyl-4-[2-(trifluoromethyl)cyclohexa-2,5-dien-1-yl]piperidine
CID 91802982
4-Cyclohexa-1,3-dien-1-yl-4-(2,2-difluoroethyl)piperidine
CID 117950631
4-(4-Fluorocyclohexa-1,3-dien-1-yl)-1-methylpiperidine
CID 118422995
5-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-amine
CID 123386403

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-4-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine?
The IUPAC name of 1,4-dimethyl-4-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine (CID 158423370) is 1,4-dimethyl-4-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine.
What is the SMILES notation for 1,4-dimethyl-4-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine?
The canonical SMILES for 1,4-dimethyl-4-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine is CN1CCC(C)(C2(C)C=C(C(F)(F)F)C=CC2)CC1.
What is the InChIKey of 1,4-dimethyl-4-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine?
The InChIKey is HATGFWCPFNWJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N/c1-13(7-9-19(3)10-8-13)14(2)6-4-5-12(11-14)15(16,17)18/h4-5,11H,6-10H2,1-3H3.
What are the key properties of 1,4-dimethyl-4-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine?
1,4-dimethyl-4-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine has a molecular weight of 273.34 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-4-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine is sourced from PubChem (CID 158423370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).