1-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-2-methylpropan-1-one

C10H17F2NO2 — CID 130416281

IUPAC1-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(O)(C(F)F)CC1
InChIInChI=1S/C10H17F2NO2/c1-7(2)8(14)13-5-3-10(15,4-6-13)9(11)12/h7,9,15H,3-6H2,1-2H3
InChIKeyXZDMRURKCXVYTR-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.26
Rot. Bonds2

About 1-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-2-methylpropan-1-one

1-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-2-methylpropan-1-one (PubChem CID 130416281) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-2-methylpropan-1-one
PubChem CID130416281
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name1-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(O)(C(F)F)CC1
InChIInChI=1S/C10H17F2NO2/c1-7(2)8(14)13-5-3-10(15,4-6-13)9(11)12/h7,9,15H,3-6H2,1-2H3
InChIKeyXZDMRURKCXVYTR-UHFFFAOYSA-N
XLogP1.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(4-propylpiperidin-1-yl)propan-1-one
CID 10539749
Tert-butyl 4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate
CID 22061329
(2S)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(4-propylpiperidin-1-yl)propan-1-one
CID 10825720
Tert-butyl 4-hydroxy-4-(2,2,2-trifluoroethyl)piperidine-1-carboxylate
CID 154720463
1-[4-Hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one
CID 75392726
1-(4-Ethyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone
CID 59083778
2-Methyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 65546001
1-[4-(2,2,2-Trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 67402368
1-(4-Ethylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one
CID 68260739
4-[4-Hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanamide
CID 71236328
2,2,2-Trifluoro-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80707610
1-[4-Hydroxy-4-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 109884515

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-2-methylpropan-1-one (CID 130416281) is 1-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC(O)(C(F)F)CC1.
What is the InChIKey of 1-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is XZDMRURKCXVYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-7(2)8(14)13-5-3-10(15,4-6-13)9(11)12/h7,9,15H,3-6H2,1-2H3.
What are the key properties of 1-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-2-methylpropan-1-one?
1-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 221.25 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 130416281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).