2-(4-hydroxypiperidin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

C13H21F3N2O2 — CID 110898328

IUPAC2-(4-hydroxypiperidin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCC(O)CC1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)10-2-1-5-18(8-10)12(20)9-17-6-3-11(19)4-7-17/h10-11,19H,1-9H2
InChIKeyCYCHXENGYDSOFW-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.24
Rot. Bonds2

About 2-(4-hydroxypiperidin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

2-(4-hydroxypiperidin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 110898328) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID110898328
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name2-(4-hydroxypiperidin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCC(O)CC1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)10-2-1-5-18(8-10)12(20)9-17-6-3-11(19)4-7-17/h10-11,19H,1-9H2
InChIKeyCYCHXENGYDSOFW-UHFFFAOYSA-N
XLogP1.24
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Hydroxypiperidin-1-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 45797184
2-(3,3-Difluoro-4-propan-2-ylpiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone
CID 156799120
2-(4-hydroxypiperidin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 60501359
2-[2,2-Difluoroethyl(methyl)amino]-1-(4-hydroxypiperidin-1-yl)ethanone
CID 71922462
1-(4-Hydroxypiperidin-1-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
CID 71973080
2-[4-(2-Hydroxyethyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 78894140
2-[4-(Hydroxymethyl)piperidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 87017173
2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 109883516
2-[3-(1-Hydroxyethyl)piperidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 109883800
2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 109883905
1-[4-Hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone
CID 109884249
1-(3,5-Dimethylpiperidin-1-yl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 109885118

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (CID 110898328) is 2-(4-hydroxypiperidin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is O=C(CN1CCC(O)CC1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is CYCHXENGYDSOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c14-13(15,16)10-2-1-5-18(8-10)12(20)9-17-6-3-11(19)4-7-17/h10-11,19H,1-9H2.
What are the key properties of 2-(4-hydroxypiperidin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
2-(4-hydroxypiperidin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 294.32 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110898328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).