1-(3-ethyl-4-hydroxypiperidin-1-yl)-3,3,3-trifluoropropan-1-one

C10H16F3NO2 — CID 114509983

IUPAC1-(3-ethyl-4-hydroxypiperidin-1-yl)-3,3,3-trifluoropropan-1-one
SMILESCCC1CN(C(=O)CC(F)(F)F)CCC1O
InChIInChI=1S/C10H16F3NO2/c1-2-7-6-14(4-3-8(7)15)9(16)5-10(11,12)13/h7-8,15H,2-6H2,1H3
InChIKeyFVRMHUYAOFEASO-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.56
Rot. Bonds2

About 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3,3,3-trifluoropropan-1-one

1-(3-ethyl-4-hydroxypiperidin-1-yl)-3,3,3-trifluoropropan-1-one (PubChem CID 114509983) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3,3,3-trifluoropropan-1-one.

Molecular Properties

Compound Name1-(3-ethyl-4-hydroxypiperidin-1-yl)-3,3,3-trifluoropropan-1-one
PubChem CID114509983
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name1-(3-ethyl-4-hydroxypiperidin-1-yl)-3,3,3-trifluoropropan-1-one
SMILESCCC1CN(C(=O)CC(F)(F)F)CCC1O
InChIInChI=1S/C10H16F3NO2/c1-2-7-6-14(4-3-8(7)15)9(16)5-10(11,12)13/h7-8,15H,2-6H2,1H3
InChIKeyFVRMHUYAOFEASO-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

3,3-difluoro-1-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]butan-1-one
CID 126790798
1-((3S,4R,5R)-3-(Difluoromethyl)-4,5-dihydroxypiperidine-1-yl)pentane-1-one
CID 51356754
1-[(3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]ethanone
CID 51357309
2,2-Difluoro-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 58122754
1-[4-(2,2,2-Trifluoro-1-methoxyethyl)piperidin-1-yl]propan-1-one
CID 58450199
1-[4-Methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone
CID 67401859
1-Acetyl-4-fluoro-4-(2,2,2-trifluoro-1-hydroxyethyl)-piperidine
CID 67402290
1-[4-(2,2,2-Trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 67402368
Cyclopropyl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
CID 67404025
1-[3-(Difluoromethyl)-4,5-dihydroxypiperidin-1-yl]pentan-1-one
CID 75631485
1-[3-(Difluoromethyl)-4,5-dihydroxypiperidin-1-yl]ethanone
CID 75631746
1-(3-Acetyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone
CID 90951058

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3,3,3-trifluoropropan-1-one?
The IUPAC name of 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3,3,3-trifluoropropan-1-one (CID 114509983) is 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3,3,3-trifluoropropan-1-one.
What is the SMILES notation for 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3,3,3-trifluoropropan-1-one?
The canonical SMILES for 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3,3,3-trifluoropropan-1-one is CCC1CN(C(=O)CC(F)(F)F)CCC1O.
What is the InChIKey of 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3,3,3-trifluoropropan-1-one?
The InChIKey is FVRMHUYAOFEASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-2-7-6-14(4-3-8(7)15)9(16)5-10(11,12)13/h7-8,15H,2-6H2,1H3.
What are the key properties of 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3,3,3-trifluoropropan-1-one?
1-(3-ethyl-4-hydroxypiperidin-1-yl)-3,3,3-trifluoropropan-1-one 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 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3,3,3-trifluoropropan-1-one is sourced from PubChem (CID 114509983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).