3-piperidin-1-yl-4-(trifluoromethyl)cyclohexan-1-ol

C12H20F3NO — CID 165496229

IUPAC3-piperidin-1-yl-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1CCC(C(F)(F)F)C(N2CCCCC2)C1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)10-5-4-9(17)8-11(10)16-6-2-1-3-7-16/h9-11,17H,1-8H2
InChIKeySKLQVMCEVOBAKT-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.56
Rot. Bonds1

About 3-piperidin-1-yl-4-(trifluoromethyl)cyclohexan-1-ol

3-piperidin-1-yl-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 165496229) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-piperidin-1-yl-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-piperidin-1-yl-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID165496229
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name3-piperidin-1-yl-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1CCC(C(F)(F)F)C(N2CCCCC2)C1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)10-5-4-9(17)8-11(10)16-6-2-1-3-7-16/h9-11,17H,1-8H2
InChIKeySKLQVMCEVOBAKT-UHFFFAOYSA-N
XLogP2.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4,4-Difluorocyclohexyl)methyl]-2-methylpiperidin-4-ol
CID 155302767
1,2-Dimethylpiperidin-4-ol;trifluoromethylcyclohexane
CID 155721197
3-[[2-(Trifluoromethyl)cyclohexyl]amino]cyclohexan-1-ol
CID 64758277
3-[3-(Trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol
CID 79618127
3-[4-(Trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol
CID 79618233
4-[(4,4-Difluoropiperidin-1-yl)methyl]cyclohexan-1-ol
CID 116991245
4-[(3,3-Difluoropiperidin-1-yl)methyl]cyclohexan-1-ol
CID 116991364
2-(2,2,2-Trifluoroethyl)-2-azabicyclo[2.2.2]octan-5-ol
CID 117050342
rel-(2S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-2-ethyl-4-piperidinol
CID 137343868
3-[Tert-butyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490683
3-[(2-Methoxyethyl)(propan-2-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490684
3-[(2-Ethoxyethyl)(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490685

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 3-piperidin-1-yl-4-(trifluoromethyl)cyclohexan-1-ol (CID 165496229) is 3-piperidin-1-yl-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-piperidin-1-yl-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 3-piperidin-1-yl-4-(trifluoromethyl)cyclohexan-1-ol is OC1CCC(C(F)(F)F)C(N2CCCCC2)C1.
What is the InChIKey of 3-piperidin-1-yl-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is SKLQVMCEVOBAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c13-12(14,15)10-5-4-9(17)8-11(10)16-6-2-1-3-7-16/h9-11,17H,1-8H2.
What are the key properties of 3-piperidin-1-yl-4-(trifluoromethyl)cyclohexan-1-ol?
3-piperidin-1-yl-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 251.29 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 165496229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).