1-methyl-4-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidin-4-ol

C13H18F3NO — CID 142975115

IUPAC1-methyl-4-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidin-4-ol
SMILESCN1CCC(O)(C2C=C(C(F)(F)F)C=CC2)CC1
InChIInChI=1S/C13H18F3NO/c1-17-7-5-12(18,6-8-17)10-3-2-4-11(9-10)13(14,15)16/h2,4,9-10,18H,3,5-8H2,1H3
InChIKeyHEYLJIGZSDXUAB-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.51
Rot. Bonds1

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

1-methyl-4-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidin-4-ol (PubChem CID 142975115) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-methyl-4-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-methyl-4-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidin-4-ol
PubChem CID142975115
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name1-methyl-4-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidin-4-ol
SMILESCN1CCC(O)(C2C=C(C(F)(F)F)C=CC2)CC1
InChIInChI=1S/C13H18F3NO/c1-17-7-5-12(18,6-8-17)10-3-2-4-11(9-10)13(14,15)16/h2,4,9-10,18H,3,5-8H2,1H3
InChIKeyHEYLJIGZSDXUAB-UHFFFAOYSA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-4-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidin-4-ol with MolForge

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Related Compounds

Tert-butyl 4-hydroxy-4-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine-1-carboxylate
CID 70965747
4-(3,4-Difluoro-6-methylcyclohexa-2,4-dien-1-yl)-1-iodopiperidin-4-ol
CID 130254726
4-(4-Fluorocyclohepta-2,4,6-trien-1-yl)-1-methylpiperidin-4-ol
CID 142097572
4-(3-Fluoro-4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol
CID 143088787
1-methyl-4-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-yl]piperidin-4-ol
CID 143177636
4-(4-Fluorocyclohexa-2,4-dien-1-yl)-1-prop-2-enylpiperidin-4-ol
CID 143672664
1-[[4-Methyl-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperidin-4-ol
CID 144657257
1-(Cyclohex-3-en-1-ylmethyl)-4-(trifluoromethyl)piperidin-4-ol
CID 75509404
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 97838869
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 97838870
1-Butyl-4-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidin-4-ol
CID 162581636
4-(4-Methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol
CID 89025215

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidin-4-ol?
The IUPAC name of 1-methyl-4-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidin-4-ol (CID 142975115) is 1-methyl-4-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidin-4-ol.
What is the SMILES notation for 1-methyl-4-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidin-4-ol?
The canonical SMILES for 1-methyl-4-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidin-4-ol is CN1CCC(O)(C2C=C(C(F)(F)F)C=CC2)CC1.
What is the InChIKey of 1-methyl-4-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidin-4-ol?
The InChIKey is HEYLJIGZSDXUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-17-7-5-12(18,6-8-17)10-3-2-4-11(9-10)13(14,15)16/h2,4,9-10,18H,3,5-8H2,1H3.
What are the key properties of 1-methyl-4-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidin-4-ol?
1-methyl-4-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidin-4-ol has a molecular weight of 261.29 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidin-4-ol is sourced from PubChem (CID 142975115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).