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

C14H20F3NO — CID 144657257

IUPAC1-[[4-methyl-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperidin-4-ol
SMILESCC1=CC(C(F)(F)F)C(CN2CCC(O)CC2)C=C1
InChIInChI=1S/C14H20F3NO/c1-10-2-3-11(13(8-10)14(15,16)17)9-18-6-4-12(19)5-7-18/h2-3,8,11-13,19H,4-7,9H2,1H3
InChIKeyZWIKLCVMCPUYFP-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.75
Rot. Bonds2

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

1-[[4-methyl-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperidin-4-ol (PubChem CID 144657257) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-[[4-methyl-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[4-methyl-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperidin-4-ol
PubChem CID144657257
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name1-[[4-methyl-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperidin-4-ol
SMILESCC1=CC(C(F)(F)F)C(CN2CCC(O)CC2)C=C1
InChIInChI=1S/C14H20F3NO/c1-10-2-3-11(13(8-10)14(15,16)17)9-18-6-4-12(19)5-7-18/h2-3,8,11-13,19H,4-7,9H2,1H3
InChIKeyZWIKLCVMCPUYFP-UHFFFAOYSA-N
XLogP2.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

1-[4-(3,5-Difluorocyclohexa-1,5-dien-1-yl)piperidin-1-yl]ethanol
CID 69626960
1-Methyl-4-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidin-4-ol
CID 142975115
1-[4-[(3E,5Z)-3-fluoro-2-methylhepta-1,3,5-trienyl]piperidin-1-yl]propan-2-ol
CID 143466122
1-[3-Methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidin-4-ol
CID 162553994
1-[[(6S)-4-methyl-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]azepan-4-ol
CID 162592922
1-(2,3-Dihydronaphthalen-2-ylmethyl)piperidin-4-ol
CID 87603240
Ethane;3-fluoroprop-1-ene;1-[(3-methylcyclohepta-2,4,6-trien-1-yl)methyl]piperidin-4-ol
CID 143413380
1-[(E)-2-ethenyl-4-methylpent-2-enyl]piperidin-4-ol
CID 163860284
1-(Cyclohepta-1,3-dien-1-ylmethyl)-3,5-dimethylpiperidin-4-ol
CID 143088577
1-[(3-Methylcyclohepta-2,4,6-trien-1-yl)methyl]piperidin-4-ol
CID 143413381

Frequently Asked Questions

What is the IUPAC name of 1-[[4-methyl-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[4-methyl-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperidin-4-ol (CID 144657257) is 1-[[4-methyl-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[4-methyl-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[4-methyl-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperidin-4-ol is CC1=CC(C(F)(F)F)C(CN2CCC(O)CC2)C=C1.
What is the InChIKey of 1-[[4-methyl-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperidin-4-ol?
The InChIKey is ZWIKLCVMCPUYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-10-2-3-11(13(8-10)14(15,16)17)9-18-6-4-12(19)5-7-18/h2-3,8,11-13,19H,4-7,9H2,1H3.
What are the key properties of 1-[[4-methyl-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperidin-4-ol?
1-[[4-methyl-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperidin-4-ol has a molecular weight of 275.31 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methyl-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 144657257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).