2,3-dimethyl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pentan-1-one

C14H24F3NO2 — CID 110021547

IUPAC2,3-dimethyl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pentan-1-one
SMILESCCC(C)C(C)C(=O)N1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C14H24F3NO2/c1-4-9(2)10(3)13(20)18-7-5-11(6-8-18)12(19)14(15,16)17/h9-12,19H,4-8H2,1-3H3
InChIKeyPRYKVOBEGLSTMY-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.83
Rot. Bonds4

About 2,3-dimethyl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pentan-1-one

2,3-dimethyl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pentan-1-one (PubChem CID 110021547) has the molecular formula C14H24F3NO2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2,3-dimethyl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name2,3-dimethyl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pentan-1-one
PubChem CID110021547
Molecular FormulaC14H24F3NO2
Molecular Weight295.34 g/mol
Exact Mass295.18
IUPAC Name2,3-dimethyl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pentan-1-one
SMILESCCC(C)C(C)C(=O)N1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C14H24F3NO2/c1-4-9(2)10(3)13(20)18-7-5-11(6-8-18)12(19)14(15,16)17/h9-12,19H,4-8H2,1-3H3
InChIKeyPRYKVOBEGLSTMY-UHFFFAOYSA-N
XLogP2.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.83
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-(Trifluoroacetyl)-4-piperidinemethanol
CID 10330779
1-((3S,4R,5R)-3-(Difluoromethyl)-4,5-dihydroxypiperidine-1-yl)pentane-1-one
CID 51356754
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-Acetyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone
CID 90951058
2,2-Dimethyl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 112329170
4,4,4-Trifluoro-3-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one
CID 118902089

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pentan-1-one?
The IUPAC name of 2,3-dimethyl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pentan-1-one (CID 110021547) is 2,3-dimethyl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 2,3-dimethyl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pentan-1-one?
The canonical SMILES for 2,3-dimethyl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pentan-1-one is CCC(C)C(C)C(=O)N1CCC(C(O)C(F)(F)F)CC1.
What is the InChIKey of 2,3-dimethyl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pentan-1-one?
The InChIKey is PRYKVOBEGLSTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO2/c1-4-9(2)10(3)13(20)18-7-5-11(6-8-18)12(19)14(15,16)17/h9-12,19H,4-8H2,1-3H3.
What are the key properties of 2,3-dimethyl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pentan-1-one?
2,3-dimethyl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pentan-1-one has a molecular weight of 295.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 110021547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).