1-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]ethanone

C10H16F3NO2 — CID 63901490

IUPAC1-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(CC(O)C(F)(F)F)C1
InChIInChI=1S/C10H16F3NO2/c1-7(15)8-3-2-4-14(5-8)6-9(16)10(11,12)13/h8-9,16H,2-6H2,1H3
InChIKeyVHGKBRHFOXLJSD-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.21
Rot. Bonds3

About 1-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]ethanone

1-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]ethanone (PubChem CID 63901490) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 1-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]ethanone
PubChem CID63901490
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name1-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(CC(O)C(F)(F)F)C1
InChIInChI=1S/C10H16F3NO2/c1-7(15)8-3-2-4-14(5-8)6-9(16)10(11,12)13/h8-9,16H,2-6H2,1H3
InChIKeyVHGKBRHFOXLJSD-UHFFFAOYSA-N
XLogP1.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
CID 63902043
ethyl (3S)-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxylate
CID 113330813
N-cyclobutyl-N-[(4S)-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]azepan-4-yl]acetamide
CID 129330933
1,1,1-trifluoro-3-[3-(methoxymethyl)piperidin-1-yl]propan-2-ol
CID 104567152
3-(azocan-1-yl)-1,1,1-trifluoropropan-2-ol
CID 63901840
tert-butyl N-methyl-N-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]carbamate
CID 86792769
propan-2-yl 2-(3-acetylpiperidin-1-yl)acetate
CID 63853302
1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxylic acid
CID 63900261
1-[1-(3-hydroxy-3-methylbutyl)piperidin-3-yl]ethanone
CID 79355581
1,1,1-trifluoro-3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63899673
1,1,1-trifluoro-3-[4-(3,3,3-trifluoro-2-hydroxypropyl)-1,4-diazepan-1-yl]propan-2-ol
CID 2782952
1-[1-(2-methoxyethyl)piperidin-3-yl]ethanone
CID 63845115

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]ethanone?
The IUPAC name of 1-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]ethanone (CID 63901490) is 1-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]ethanone?
The canonical SMILES for 1-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]ethanone is CC(=O)C1CCCN(CC(O)C(F)(F)F)C1.
What is the InChIKey of 1-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]ethanone?
The InChIKey is VHGKBRHFOXLJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-7(15)8-3-2-4-14(5-8)6-9(16)10(11,12)13/h8-9,16H,2-6H2,1H3.
What are the key properties of 1-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]ethanone?
1-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]ethanone has a molecular weight of 239.24 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]ethanone is sourced from PubChem (CID 63901490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).