1-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]piperidin-4-ol

C12H18F3NO — CID 177304174

IUPAC1-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]piperidin-4-ol
SMILESCN1CCC(O)(C23CC(C(F)(F)F)(C2)C3)CC1
InChIInChI=1S/C12H18F3NO/c1-16-4-2-11(17,3-5-16)9-6-10(7-9,8-9)12(13,14)15/h17H,2-8H2,1H3
InChIKeyXCDJZKGEKBCWBY-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.18
Rot. Bonds1

About 1-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]piperidin-4-ol

1-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]piperidin-4-ol (PubChem CID 177304174) has the molecular formula C12H18F3NO and a molecular weight of 249.28 g/mol. Its IUPAC name is 1-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]piperidin-4-ol.

Molecular Properties

Compound Name1-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]piperidin-4-ol
PubChem CID177304174
Molecular FormulaC12H18F3NO
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC Name1-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]piperidin-4-ol
SMILESCN1CCC(O)(C23CC(C(F)(F)F)(C2)C3)CC1
InChIInChI=1S/C12H18F3NO/c1-16-4-2-11(17,3-5-16)9-6-10(7-9,8-9)12(13,14)15/h17H,2-8H2,1H3
InChIKeyXCDJZKGEKBCWBY-UHFFFAOYSA-N
XLogP2.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]piperidin-4-ol with MolForge

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Related Compounds

1-Methyl-4-(4,4,4-trifluorobutyl)piperidin-4-ol
CID 115515262
4-(3,3-Difluorobutyl)-1-methylpiperidin-4-ol
CID 144699623
4-(4,4-Difluorobutyl)-1-methylpiperidin-4-ol
CID 146582687
1,2-Ditert-butyl-4-(trifluoromethyl)piperidin-4-ol
CID 153289723
4-Pentan-2-yl-1-(2,2,2-trifluoroethyl)piperidin-4-ol
CID 166726968
2-Methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]piperidin-4-ol
CID 177758449
(3R*,4R*)-4-cyclobutyl-3-methyl-1-(4,4,4-trifluorobutyl)-4-piperidinol
CID 72919887
1-Propyl-4-(4,4,4-trifluorobutyl)piperidin-4-ol
CID 113326698
1-Ethyl-4-(4,4,4-trifluorobutyl)piperidin-4-ol
CID 115515264

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]piperidin-4-ol?
The IUPAC name of 1-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]piperidin-4-ol (CID 177304174) is 1-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]piperidin-4-ol.
What is the SMILES notation for 1-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]piperidin-4-ol?
The canonical SMILES for 1-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]piperidin-4-ol is CN1CCC(O)(C23CC(C(F)(F)F)(C2)C3)CC1.
What is the InChIKey of 1-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]piperidin-4-ol?
The InChIKey is XCDJZKGEKBCWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO/c1-16-4-2-11(17,3-5-16)9-6-10(7-9,8-9)12(13,14)15/h17H,2-8H2,1H3.
What are the key properties of 1-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]piperidin-4-ol?
1-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]piperidin-4-ol has a molecular weight of 249.28 g/mol, XLogP of 2.18, 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)-1-bicyclo[1.1.1]pentanyl]piperidin-4-ol is sourced from PubChem (CID 177304174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).