(4-hydroxypiperidin-1-yl)-[(1R,2R)-1-methyl-2-(trifluoromethyl)cyclopropyl]methanone

C11H16F3NO2 — CID 172557679

IUPAC(4-hydroxypiperidin-1-yl)-[(1R,2R)-1-methyl-2-(trifluoromethyl)cyclopropyl]methanone
SMILESC[C@@]1(C(=O)N2CCC(O)CC2)C[C@H]1C(F)(F)F
InChIInChI=1S/C11H16F3NO2/c1-10(6-8(10)11(12,13)14)9(17)15-4-2-7(16)3-5-15/h7-8,16H,2-6H2,1H3/t8-,10-/m1/s1
InChIKeyBWVZLNJNKMULGX-PSASIEDQSA-N
MW251.25 g/mol
LogP1.56
Rot. Bonds1

About (4-hydroxypiperidin-1-yl)-[(1R,2R)-1-methyl-2-(trifluoromethyl)cyclopropyl]methanone

(4-hydroxypiperidin-1-yl)-[(1R,2R)-1-methyl-2-(trifluoromethyl)cyclopropyl]methanone (PubChem CID 172557679) has the molecular formula C11H16F3NO2 and a molecular weight of 251.25 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-[(1R,2R)-1-methyl-2-(trifluoromethyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-[(1R,2R)-1-methyl-2-(trifluoromethyl)cyclopropyl]methanone
PubChem CID172557679
Molecular FormulaC11H16F3NO2
Molecular Weight251.25 g/mol
Exact Mass251.11
IUPAC Name(4-hydroxypiperidin-1-yl)-[(1R,2R)-1-methyl-2-(trifluoromethyl)cyclopropyl]methanone
SMILESC[C@@]1(C(=O)N2CCC(O)CC2)C[C@H]1C(F)(F)F
InChIInChI=1S/C11H16F3NO2/c1-10(6-8(10)11(12,13)14)9(17)15-4-2-7(16)3-5-15/h7-8,16H,2-6H2,1H3/t8-,10-/m1/s1
InChIKeyBWVZLNJNKMULGX-PSASIEDQSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-hydroxypiperidin-1-yl)-[(1R,2R)-1-methyl-2-(trifluoromethyl)cyclopropyl]methanone with MolForge

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Related Compounds

2-(Hydroxymethyl)-3,3-dimethyl-1-[3-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 58171959
4,4,4-Trifluoro-3-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one
CID 118902089
4,4,4-Trifluoro-1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-one
CID 149718879
1-Piperidin-1-ylbutan-1-one;[1-(trifluoromethyl)cyclopropyl]methanol
CID 164604670
1-(4,4-Difluoropiperidin-1-yl)butan-1-one;3-methylbutan-2-ol
CID 164604907
(4-hydroxypiperidin-1-yl)-[(1S,2S)-1-methyl-2-(trifluoromethyl)cyclopropyl]methanone
CID 172557659
4-Hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one
CID 79205205
3,3,3-Trifluoro-1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(trifluoromethyl)propan-1-one
CID 103310245
2,2-Difluoro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 103514008
N-(2-hydroxyethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 103915677
2,2,3,3-Tetrafluoro-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one
CID 104956554
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107482974

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-[(1R,2R)-1-methyl-2-(trifluoromethyl)cyclopropyl]methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-[(1R,2R)-1-methyl-2-(trifluoromethyl)cyclopropyl]methanone (CID 172557679) is (4-hydroxypiperidin-1-yl)-[(1R,2R)-1-methyl-2-(trifluoromethyl)cyclopropyl]methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-[(1R,2R)-1-methyl-2-(trifluoromethyl)cyclopropyl]methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-[(1R,2R)-1-methyl-2-(trifluoromethyl)cyclopropyl]methanone is C[C@@]1(C(=O)N2CCC(O)CC2)C[C@H]1C(F)(F)F.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-[(1R,2R)-1-methyl-2-(trifluoromethyl)cyclopropyl]methanone?
The InChIKey is BWVZLNJNKMULGX-PSASIEDQSA-N. The full InChI is InChI=1S/C11H16F3NO2/c1-10(6-8(10)11(12,13)14)9(17)15-4-2-7(16)3-5-15/h7-8,16H,2-6H2,1H3/t8-,10-/m1/s1.
What are the key properties of (4-hydroxypiperidin-1-yl)-[(1R,2R)-1-methyl-2-(trifluoromethyl)cyclopropyl]methanone?
(4-hydroxypiperidin-1-yl)-[(1R,2R)-1-methyl-2-(trifluoromethyl)cyclopropyl]methanone has a molecular weight of 251.25 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-[(1R,2R)-1-methyl-2-(trifluoromethyl)cyclopropyl]methanone is sourced from PubChem (CID 172557679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).