cyclobutyl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone

C11H16F3NO2 — CID 122243092

IUPACcyclobutyl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO2/c12-11(13,14)10(17)4-6-15(7-5-10)9(16)8-2-1-3-8/h8,17H,1-7H2
InChIKeyLGRRZCFAUQCCSE-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.70
Rot. Bonds1

About cyclobutyl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone

cyclobutyl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 122243092) has the molecular formula C11H16F3NO2 and a molecular weight of 251.25 g/mol. Its IUPAC name is cyclobutyl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID122243092
Molecular FormulaC11H16F3NO2
Molecular Weight251.25 g/mol
Exact Mass251.11
IUPAC Namecyclobutyl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO2/c12-11(13,14)10(17)4-6-15(7-5-10)9(16)8-2-1-3-8/h8,17H,1-7H2
InChIKeyLGRRZCFAUQCCSE-UHFFFAOYSA-N
XLogP1.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 118219117
(2-aminocyclopentyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 119800762
1-(cyclohexanecarbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119250882
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,2,2-trifluoroethanone
CID 108932472
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119333374
cyclobutyl-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone
CID 72861703
3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
CID 68965543
cyclobutyl(2,8-diazaspiro[4.5]decan-8-yl)methanone
CID 83708252
1-[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 110364785

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone (CID 122243092) is cyclobutyl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone is O=C(C1CCC1)N1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of cyclobutyl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is LGRRZCFAUQCCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO2/c12-11(13,14)10(17)4-6-15(7-5-10)9(16)8-2-1-3-8/h8,17H,1-7H2.
What are the key properties of cyclobutyl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone?
cyclobutyl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 251.25 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 122243092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).