2,2,2-trifluoro-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone

C8H12F3NO2 — CID 10330779

IUPAC2,2,2-trifluoro-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(N1CCC(CO)CC1)C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)7(14)12-3-1-6(5-13)2-4-12/h6,13H,1-5H2
InChIKeyNNCHBGGKBUIKER-UHFFFAOYSA-N
MW211.18 g/mol
LogP0.78
Rot. Bonds1

About 2,2,2-trifluoro-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone

2,2,2-trifluoro-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone (PubChem CID 10330779) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
PubChem CID10330779
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name2,2,2-trifluoro-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(N1CCC(CO)CC1)C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)7(14)12-3-1-6(5-13)2-4-12/h6,13H,1-5H2
InChIKeyNNCHBGGKBUIKER-UHFFFAOYSA-N
XLogP0.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone;hydrochloride
CID 54595642
3-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethyl-3-oxopropanoic acid
CID 82821924
2,2,2-trifluoro-1-[3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]ethanone
CID 155894161
1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid
CID 4552138
2,2,2-trifluoro-1-(4-piperidin-4-ylpiperidin-1-yl)ethanone
CID 90786126
N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 108932797
4-(hydroxymethyl)piperidine-1-carboxylate
CID 18454833
2-(ethylamino)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 62833921
1-(4-ethynylpiperidin-1-yl)-2,2,2-trifluoroethanone
CID 126598063
ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone
CID 156843506
2,2,2-trifluoro-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 110344018
2,2,2-trifluoro-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone
CID 112537598

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone (CID 10330779) is 2,2,2-trifluoro-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone is O=C(N1CCC(CO)CC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
The InChIKey is NNCHBGGKBUIKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c9-8(10,11)7(14)12-3-1-6(5-13)2-4-12/h6,13H,1-5H2.
What are the key properties of 2,2,2-trifluoro-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone has a molecular weight of 211.18 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 10330779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).