2-methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-4-ol

C15H26F3NO — CID 155302688

IUPAC2-methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-4-ol
SMILESCC1CC(O)CCN1CCC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H26F3NO/c1-11-10-14(20)7-9-19(11)8-6-12-2-4-13(5-3-12)15(16,17)18/h11-14,20H,2-10H2,1H3
InChIKeyUNEGYYBORYMSLW-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.59
Rot. Bonds3

About 2-methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-4-ol

2-methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-4-ol (PubChem CID 155302688) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-4-ol.

Molecular Properties

Compound Name2-methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-4-ol
PubChem CID155302688
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC Name2-methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-4-ol
SMILESCC1CC(O)CCN1CCC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H26F3NO/c1-11-10-14(20)7-9-19(11)8-6-12-2-4-13(5-3-12)15(16,17)18/h11-14,20H,2-10H2,1H3
InChIKeyUNEGYYBORYMSLW-UHFFFAOYSA-N
XLogP3.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R,5R)-1-(((1s,4S)-4-(1,1-difluoroethyl)cyclohexyl)methyl)piperidine-3,4,5-triol and (3S,4R,5R)-1-(((1r,4R)-4-(1,1-difluoroethyl)cyclohexyl)methyl)piperidine-3,4,5-triol
CID 166834284
2,2,6,6-Tetramethyl-1-(2,2,2-trifluoro-ethyl)-piperidin-4-ol
CID 68830384
1-[[4-(Trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
CID 127889594
1-[(4,4-Difluorocyclohexyl)methyl]piperidin-4-ol
CID 128699600
1-[2-(4-Fluorocyclohexyl)ethyl]piperidin-4-ol
CID 140430826
(2R,3R,4R,5S)-2-methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidine-3,4,5-triol
CID 155286499
2-Methyl-1-[[3-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
CID 155302441
2-methyl-1-[[(3R)-3-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
CID 155302491
1-(Cyclohexylmethyl)-2-(fluoromethyl)piperidin-4-ol
CID 155302541
1-[2-(4,4-Difluorocyclohexyl)ethyl]-2-methylpiperidin-4-ol
CID 155302644
1-[(4-Tert-butylcyclohexyl)methyl]-2-(fluoromethyl)piperidin-4-ol
CID 155302702
2-Methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol
CID 155302705

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-4-ol?
The IUPAC name of 2-methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-4-ol (CID 155302688) is 2-methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-4-ol.
What is the SMILES notation for 2-methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-4-ol?
The canonical SMILES for 2-methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-4-ol is CC1CC(O)CCN1CCC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-4-ol?
The InChIKey is UNEGYYBORYMSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-11-10-14(20)7-9-19(11)8-6-12-2-4-13(5-3-12)15(16,17)18/h11-14,20H,2-10H2,1H3.
What are the key properties of 2-methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-4-ol?
2-methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-4-ol has a molecular weight of 293.37 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-4-ol is sourced from PubChem (CID 155302688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).