2,2,2-trifluoro-1-[3-(2-piperidin-4-ylphenoxy)pyrrolidin-1-yl]ethanone

C17H21F3N2O2 — CID 18436726

IUPAC2,2,2-trifluoro-1-[3-(2-piperidin-4-ylphenoxy)pyrrolidin-1-yl]ethanone
SMILESO=C(N1CCC(Oc2ccccc2C2CCNCC2)C1)C(F)(F)F
InChIInChI=1S/C17H21F3N2O2/c18-17(19,20)16(23)22-10-7-13(11-22)24-15-4-2-1-3-14(15)12-5-8-21-9-6-12/h1-4,12-13,21H,5-11H2
InChIKeyRTVJMEDKXZCJRW-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.70
Rot. Bonds3

About 2,2,2-trifluoro-1-[3-(2-piperidin-4-ylphenoxy)pyrrolidin-1-yl]ethanone

2,2,2-trifluoro-1-[3-(2-piperidin-4-ylphenoxy)pyrrolidin-1-yl]ethanone (PubChem CID 18436726) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[3-(2-piperidin-4-ylphenoxy)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[3-(2-piperidin-4-ylphenoxy)pyrrolidin-1-yl]ethanone
PubChem CID18436726
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Name2,2,2-trifluoro-1-[3-(2-piperidin-4-ylphenoxy)pyrrolidin-1-yl]ethanone
SMILESO=C(N1CCC(Oc2ccccc2C2CCNCC2)C1)C(F)(F)F
InChIInChI=1S/C17H21F3N2O2/c18-17(19,20)16(23)22-10-7-13(11-22)24-15-4-2-1-3-14(15)12-5-8-21-9-6-12/h1-4,12-13,21H,5-11H2
InChIKeyRTVJMEDKXZCJRW-UHFFFAOYSA-N
XLogP2.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-1-[3-(2-piperidin-4-ylphenoxy)pyrrolidin-1-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-(2,3-Dihydro-benzofuran-2-ylmethyl)-piperazine
CID 3159664
US10166214, Example 12
CID 86293129
N-[(1S,2R)-2-phenylcyclopropyl]-4-[2-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 76317760
N-[(1-benzylpiperidin-4-yl)methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 168292471
2-[[2-(3,5-Difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone
CID 137402720
trans-N-(4-{2-[4-(2,3-Dihydro-benzofuran-4-yl)-piperidin-1-yl]-ethyl}-cyclohexyl)-2,2,2-trifluoro-acetamide
CID 57384928
trans-N-(4-{2-[4-(2,3-Dihydro-benzofuran-4-yl)-piperidin-1-yl]ethyl}-cyclohexyl)-3,3,3-trifluoro-propionamide
CID 57387700
US10166214, Example 13
CID 86293315
US10166214, Example 19
CID 86293693
US11045457, Example 64
CID 146401966
US11787798, Example 56
CID 156864443
Morpholine, 4-(3-(((2,3-dihydro-2-ethyl-3-benzofuranyl)methyl)amino)propyl)-
CID 3023238

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[3-(2-piperidin-4-ylphenoxy)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[3-(2-piperidin-4-ylphenoxy)pyrrolidin-1-yl]ethanone (CID 18436726) is 2,2,2-trifluoro-1-[3-(2-piperidin-4-ylphenoxy)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[3-(2-piperidin-4-ylphenoxy)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[3-(2-piperidin-4-ylphenoxy)pyrrolidin-1-yl]ethanone is O=C(N1CCC(Oc2ccccc2C2CCNCC2)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[3-(2-piperidin-4-ylphenoxy)pyrrolidin-1-yl]ethanone?
The InChIKey is RTVJMEDKXZCJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c18-17(19,20)16(23)22-10-7-13(11-22)24-15-4-2-1-3-14(15)12-5-8-21-9-6-12/h1-4,12-13,21H,5-11H2.
What are the key properties of 2,2,2-trifluoro-1-[3-(2-piperidin-4-ylphenoxy)pyrrolidin-1-yl]ethanone?
2,2,2-trifluoro-1-[3-(2-piperidin-4-ylphenoxy)pyrrolidin-1-yl]ethanone has a molecular weight of 342.36 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[3-(2-piperidin-4-ylphenoxy)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 18436726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).