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

C10H16F3NO2 — CID 112537598

IUPAC2,2,2-trifluoro-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone
SMILESCCC(O)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO2/c1-2-8(15)7-3-5-14(6-4-7)9(16)10(11,12)13/h7-8,15H,2-6H2,1H3
InChIKeyOSISCKWNCWNLFO-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.56
Rot. Bonds2

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

2,2,2-trifluoro-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone (PubChem CID 112537598) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone
PubChem CID112537598
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name2,2,2-trifluoro-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone
SMILESCCC(O)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO2/c1-2-8(15)7-3-5-14(6-4-7)9(16)10(11,12)13/h7-8,15H,2-6H2,1H3
InChIKeyOSISCKWNCWNLFO-UHFFFAOYSA-N
XLogP1.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1-hydroxypropyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 112537597
1-[3-(2-amino-1-hydroxyethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 115006788
2,2,2-trifluoro-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 10330779
3-O-tert-butyl 1-O-ethyl 2-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanedioate
CID 87940767
3-(dimethylamino)-1-[4-(1-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 112537564
2-cyclohexyl-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone
CID 112537559
1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid
CID 4552138
1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone;hydrochloride
CID 54595642
tert-butyl (3S)-3-[(1S)-1-hydroxypropyl]pyrrolidine-1-carboxylate
CID 58104614
N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 108932797
2-amino-3-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pentanamide
CID 119806640
2-amino-3-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pentanamide;hydrochloride
CID 119806639

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone (CID 112537598) is 2,2,2-trifluoro-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone is CCC(O)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone?
The InChIKey is OSISCKWNCWNLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-2-8(15)7-3-5-14(6-4-7)9(16)10(11,12)13/h7-8,15H,2-6H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone has a molecular weight of 239.24 g/mol, XLogP of 1.56, 2 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-(1-hydroxypropyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 112537598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).