2-[1-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-6-piperidin-4-ylpyridin-4-amine

C18H22F3N3 — CID 142128216

IUPAC2-[1-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-6-piperidin-4-ylpyridin-4-amine
SMILESCC1(c2cc(N)cc(C3CCNCC3)n2)CC=CC=C1C(F)(F)F
InChIInChI=1S/C18H22F3N3/c1-17(7-3-2-4-15(17)18(19,20)21)16-11-13(22)10-14(24-16)12-5-8-23-9-6-12/h2-4,10-12,23H,5-9H2,1H3,(H2,22,24)
InChIKeyRWWZHEXDUNNRSU-UHFFFAOYSA-N
MW337.39 g/mol
LogP3.84
Rot. Bonds2

About 2-[1-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-6-piperidin-4-ylpyridin-4-amine

2-[1-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-6-piperidin-4-ylpyridin-4-amine (PubChem CID 142128216) has the molecular formula C18H22F3N3 and a molecular weight of 337.39 g/mol. Its IUPAC name is 2-[1-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-6-piperidin-4-ylpyridin-4-amine.

Molecular Properties

Compound Name2-[1-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-6-piperidin-4-ylpyridin-4-amine
PubChem CID142128216
Molecular FormulaC18H22F3N3
Molecular Weight337.39 g/mol
Exact Mass337.18
IUPAC Name2-[1-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-6-piperidin-4-ylpyridin-4-amine
SMILESCC1(c2cc(N)cc(C3CCNCC3)n2)CC=CC=C1C(F)(F)F
InChIInChI=1S/C18H22F3N3/c1-17(7-3-2-4-15(17)18(19,20)21)16-11-13(22)10-14(24-16)12-5-8-23-9-6-12/h2-4,10-12,23H,5-9H2,1H3,(H2,22,24)
InChIKeyRWWZHEXDUNNRSU-UHFFFAOYSA-N
XLogP3.84
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-6-piperidin-4-ylpyridin-4-amine with MolForge

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Related Compounds

(R)-2-(2,5-difluorophenyl)-1-(1-(2,6-dimethylpyridin-3-yl)piperidin-4-yl)ethanamine
CID 53321499
(R)-2-(2,5-difluorophenyl)-1-(1-(pyridin-4-yl)piperidin-4-yl)ethanamine
CID 53325399
2-Methyl-6-(piperidin-3-yl)-4-{[3-(trifluoromethyl)phenyl]methyl}pyridine
CID 66509332
1-piperidin-4-yl-N-[[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]methanamine
CID 145982977
2-(1-Methylpiperidin-3-YL)-6-[3-(trifluoromethyl)phenyl]pyridine
CID 110249262
[2-(2,6-Difluorophenyl)(4-quinolyl)](3-piperidylpropyl)amine
CID 141703698
(3-Piperidylpropyl)[2-(2,4,5-trifluorophenyl)(4-quinolyl)]amine
CID 141703773
(3-Piperidylpropyl)[2-(2,3,4-trifluorophenyl)(4-quinolyl)]amine
CID 141703779
(3-Piperidylpropyl)[2-(3,4,5-trifluorophenyl)(4-quinolyl)]amine
CID 141703810
[2-(3,5-Difluorophenyl)(4-quinolyl)](3-piperidylpropyl)amine
CID 141703831
2-(Trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine hydrochloride
CID 57445256
beta,beta-Dimethyl-6-(trifluoromethyl)-2-pyridineethanamine
CID 58854045

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-6-piperidin-4-ylpyridin-4-amine?
The IUPAC name of 2-[1-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-6-piperidin-4-ylpyridin-4-amine (CID 142128216) is 2-[1-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-6-piperidin-4-ylpyridin-4-amine.
What is the SMILES notation for 2-[1-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-6-piperidin-4-ylpyridin-4-amine?
The canonical SMILES for 2-[1-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-6-piperidin-4-ylpyridin-4-amine is CC1(c2cc(N)cc(C3CCNCC3)n2)CC=CC=C1C(F)(F)F.
What is the InChIKey of 2-[1-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-6-piperidin-4-ylpyridin-4-amine?
The InChIKey is RWWZHEXDUNNRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3/c1-17(7-3-2-4-15(17)18(19,20)21)16-11-13(22)10-14(24-16)12-5-8-23-9-6-12/h2-4,10-12,23H,5-9H2,1H3,(H2,22,24).
What are the key properties of 2-[1-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-6-piperidin-4-ylpyridin-4-amine?
2-[1-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-6-piperidin-4-ylpyridin-4-amine has a molecular weight of 337.39 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-6-piperidin-4-ylpyridin-4-amine is sourced from PubChem (CID 142128216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).