2-methyl-1-[[(3R)-3-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol

C14H24F3NO — CID 155302491

IUPAC2-methyl-1-[[(3R)-3-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
SMILESCC1CC(O)CCN1CC1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C14H24F3NO/c1-10-7-13(19)5-6-18(10)9-11-3-2-4-12(8-11)14(15,16)17/h10-13,19H,2-9H2,1H3/t10?,11?,12-,13?/m1/s1
InChIKeyNUIRNWBVUPSHHI-AYNROABZSA-N
MW279.35 g/mol
LogP3.20
Rot. Bonds2

About 2-methyl-1-[[(3R)-3-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol

2-methyl-1-[[(3R)-3-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol (PubChem CID 155302491) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-methyl-1-[[(3R)-3-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name2-methyl-1-[[(3R)-3-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
PubChem CID155302491
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name2-methyl-1-[[(3R)-3-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
SMILESCC1CC(O)CCN1CC1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C14H24F3NO/c1-10-7-13(19)5-6-18(10)9-11-3-2-4-12(8-11)14(15,16)17/h10-13,19H,2-9H2,1H3/t10?,11?,12-,13?/m1/s1
InChIKeyNUIRNWBVUPSHHI-AYNROABZSA-N
XLogP3.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,6,6-Tetramethyl-1-(2,2,2-trifluoro-ethyl)-piperidin-4-ol
CID 68830384
(3S,5R)-1-(cyclohexylmethyl)-5-(difluoromethyl)piperidin-3-ol
CID 118321426
1-[[4-(Trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
CID 127889594
1-[(4,4-Difluorocyclohexyl)methyl]piperidin-4-ol
CID 128699600
(2R,3R,4R,5S)-2-methyl-1-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
CID 155286447
(2R,3R,4R,5S)-2-methyl-1-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
CID 155286481
(2R,3R,4R,5S)-2-methyl-1-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
CID 155302439
(2R,3R,4R,5S)-2-methyl-1-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
CID 155302440
2-Methyl-1-[[3-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
CID 155302441
1-(Cyclohexylmethyl)-2-(fluoromethyl)piperidin-4-ol
CID 155302541
1-[2-(4,4-Difluorocyclohexyl)ethyl]-2-methylpiperidin-4-ol
CID 155302644
2-Methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-4-ol
CID 155302688

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[(3R)-3-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol?
The IUPAC name of 2-methyl-1-[[(3R)-3-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol (CID 155302491) is 2-methyl-1-[[(3R)-3-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol.
What is the SMILES notation for 2-methyl-1-[[(3R)-3-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol?
The canonical SMILES for 2-methyl-1-[[(3R)-3-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol is CC1CC(O)CCN1CC1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of 2-methyl-1-[[(3R)-3-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol?
The InChIKey is NUIRNWBVUPSHHI-AYNROABZSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-10-7-13(19)5-6-18(10)9-11-3-2-4-12(8-11)14(15,16)17/h10-13,19H,2-9H2,1H3/t10?,11?,12-,13?/m1/s1.
What are the key properties of 2-methyl-1-[[(3R)-3-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol?
2-methyl-1-[[(3R)-3-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol has a molecular weight of 279.35 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[(3R)-3-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol is sourced from PubChem (CID 155302491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).