1-(4-ethyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone

C9H14F3NO2 — CID 59083778

IUPAC1-(4-ethyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone
SMILESCCC1(O)CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO2/c1-2-8(15)3-5-13(6-4-8)7(14)9(10,11)12/h15H,2-6H2,1H3
InChIKeyXFKCPTOOQSVRSY-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.31
Rot. Bonds1

About 1-(4-ethyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone

1-(4-ethyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone (PubChem CID 59083778) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 1-(4-ethyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(4-ethyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone
PubChem CID59083778
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name1-(4-ethyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone
SMILESCCC1(O)CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO2/c1-2-8(15)3-5-13(6-4-8)7(14)9(10,11)12/h15H,2-6H2,1H3
InChIKeyXFKCPTOOQSVRSY-UHFFFAOYSA-N
XLogP1.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tert-butyl 4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate
CID 22061329
Tert-butyl 4-hydroxy-4-(2,2,2-trifluoroethyl)piperidine-1-carboxylate
CID 154720463
1-[4-Hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-sulfanylpropan-1-one
CID 177680745
4-Hydroxy-4-(trifluoromethyl)piperidine-1-carboxylic acid
CID 23120478
2,2,2-trifluoro-N-[2-(4-hydroxy-4-piperidinyl)ethyl]acetamide
CID 58693799
1-Ethyl-4-(trifluoromethyl)piperidin-4-ol
CID 61644735
1-(2,2-Difluoroethyl)-4-methylpiperidin-4-ol
CID 80703234
2,2,2-Trifluoro-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80707610
2,2,2-trifluoro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]acetamide
CID 89835527
1-[4-Hydroxy-4-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 109884515
4-Methyl-1-(2,2,2-trifluoroethyl)piperidin-4-ol
CID 115826051
N-[(1-ethyl-4-hydroxypiperidin-4-yl)methyl]-2,2,2-trifluoroacetamide
CID 117749585

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(4-ethyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone (CID 59083778) is 1-(4-ethyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(4-ethyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(4-ethyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone is CCC1(O)CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 1-(4-ethyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is XFKCPTOOQSVRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-2-8(15)3-5-13(6-4-8)7(14)9(10,11)12/h15H,2-6H2,1H3.
What are the key properties of 1-(4-ethyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone?
1-(4-ethyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 225.21 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 59083778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).