2-chloro-1-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone

C15H17ClF3NO2 — CID 162679473

IUPAC2-chloro-1-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone
SMILESO=C(CCl)N1CCCC(COc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C15H17ClF3NO2/c16-8-14(21)20-7-1-2-11(9-20)10-22-13-5-3-12(4-6-13)15(17,18)19/h3-6,11H,1-2,7-10H2
InChIKeyZHOUMOBVVYTKPO-UHFFFAOYSA-N
MW335.75 g/mol
LogP3.56
Rot. Bonds4

About 2-chloro-1-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone

2-chloro-1-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone (PubChem CID 162679473) has the molecular formula C15H17ClF3NO2 and a molecular weight of 335.75 g/mol. Its IUPAC name is 2-chloro-1-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone
PubChem CID162679473
Molecular FormulaC15H17ClF3NO2
Molecular Weight335.75 g/mol
Exact Mass335.09
IUPAC Name2-chloro-1-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone
SMILESO=C(CCl)N1CCCC(COc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C15H17ClF3NO2/c16-8-14(21)20-7-1-2-11(9-20)10-22-13-5-3-12(4-6-13)15(17,18)19/h3-6,11H,1-2,7-10H2
InChIKeyZHOUMOBVVYTKPO-UHFFFAOYSA-N
XLogP3.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.75
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-1-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-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

2-(4-chlorophenyl)-1-[(3S)-3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 58737477
1-[(3S)-3-aminopiperidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 124593921
2-chloro-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone
CID 162679483
[4-(4-chlorophenyl)oxan-4-yl]-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methanone;ethane
CID 143089641
1-[3-[(4-chlorophenoxy)methyl]piperidin-1-yl]butan-1-one
CID 110638727
2-chloro-1-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]ethanone
CID 162679482
1-[(3S)-3-(methylamino)piperidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 124575482
1-[3-[(4-chlorophenoxy)methyl]piperidin-1-yl]-2-phenoxyethanone
CID 110638734
3-methoxy-1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]propan-1-one
CID 70716586
N-cyclopropyl-3-[[1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]methoxy]benzamide
CID 50847037
3-amino-1-[3-(phenoxymethyl)piperidin-1-yl]propan-1-one
CID 102560007
1-[(3S)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
CID 95861803

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-chloro-1-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone (CID 162679473) is 2-chloro-1-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-chloro-1-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone is O=C(CCl)N1CCCC(COc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 2-chloro-1-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone?
The InChIKey is ZHOUMOBVVYTKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF3NO2/c16-8-14(21)20-7-1-2-11(9-20)10-22-13-5-3-12(4-6-13)15(17,18)19/h3-6,11H,1-2,7-10H2.
What are the key properties of 2-chloro-1-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone?
2-chloro-1-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone has a molecular weight of 335.75 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 162679473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).