2-chloro-1-piperidin-1-yl-2-[3-(trifluoromethoxy)phenyl]ethanone

C14H15ClF3NO2 — CID 107105193

IUPAC2-chloro-1-piperidin-1-yl-2-[3-(trifluoromethoxy)phenyl]ethanone
SMILESO=C(C(Cl)c1cccc(OC(F)(F)F)c1)N1CCCCC1
InChIInChI=1S/C14H15ClF3NO2/c15-12(13(20)19-7-2-1-3-8-19)10-5-4-6-11(9-10)21-14(16,17)18/h4-6,9,12H,1-3,7-8H2
InChIKeyCEOWJQSUSQAIGA-UHFFFAOYSA-N
MW321.73 g/mol
LogP3.88
Rot. Bonds3

About 2-chloro-1-piperidin-1-yl-2-[3-(trifluoromethoxy)phenyl]ethanone

2-chloro-1-piperidin-1-yl-2-[3-(trifluoromethoxy)phenyl]ethanone (PubChem CID 107105193) has the molecular formula C14H15ClF3NO2 and a molecular weight of 321.73 g/mol. Its IUPAC name is 2-chloro-1-piperidin-1-yl-2-[3-(trifluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name2-chloro-1-piperidin-1-yl-2-[3-(trifluoromethoxy)phenyl]ethanone
PubChem CID107105193
Molecular FormulaC14H15ClF3NO2
Molecular Weight321.73 g/mol
Exact Mass321.07
IUPAC Name2-chloro-1-piperidin-1-yl-2-[3-(trifluoromethoxy)phenyl]ethanone
SMILESO=C(C(Cl)c1cccc(OC(F)(F)F)c1)N1CCCCC1
InChIInChI=1S/C14H15ClF3NO2/c15-12(13(20)19-7-2-1-3-8-19)10-5-4-6-11(9-10)21-14(16,17)18/h4-6,9,12H,1-3,7-8H2
InChIKeyCEOWJQSUSQAIGA-UHFFFAOYSA-N
XLogP3.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.73
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-pyrrolidin-1-yl-2-[3-(trifluoromethoxy)phenyl]ethanone
CID 107105192
2-chloro-2-[3-(trifluoromethoxy)phenyl]acetyl chloride
CID 87204041
4-[(2S)-2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethoxy)phenyl]acetyl]piperazine-1-carboxylic acid
CID 174506052
1-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 95143295
2-chloro-2-(4-methoxyphenyl)-1-piperidin-1-ylethanone
CID 55048012
(2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 96874577
2-chloro-1-pyrrolidin-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]ethanone
CID 62224994
2-pyrrolidin-1-yl-2-[3-(trifluoromethoxy)phenyl]acetonitrile
CID 107105039
2-chloro-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-piperidin-1-ylethanone
CID 115350534
2-[3-(1-aminoethyl)phenoxy]-1-piperidin-1-ylpropan-1-one
CID 43116396
2-chloro-2-(4-chlorophenyl)-1-piperidin-1-ylethanone
CID 55047963
2-chloro-2-(3,5-dimethylphenyl)-1-pyrrolidin-1-ylethanone
CID 62225924

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-piperidin-1-yl-2-[3-(trifluoromethoxy)phenyl]ethanone?
The IUPAC name of 2-chloro-1-piperidin-1-yl-2-[3-(trifluoromethoxy)phenyl]ethanone (CID 107105193) is 2-chloro-1-piperidin-1-yl-2-[3-(trifluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 2-chloro-1-piperidin-1-yl-2-[3-(trifluoromethoxy)phenyl]ethanone?
The canonical SMILES for 2-chloro-1-piperidin-1-yl-2-[3-(trifluoromethoxy)phenyl]ethanone is O=C(C(Cl)c1cccc(OC(F)(F)F)c1)N1CCCCC1.
What is the InChIKey of 2-chloro-1-piperidin-1-yl-2-[3-(trifluoromethoxy)phenyl]ethanone?
The InChIKey is CEOWJQSUSQAIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3NO2/c15-12(13(20)19-7-2-1-3-8-19)10-5-4-6-11(9-10)21-14(16,17)18/h4-6,9,12H,1-3,7-8H2.
What are the key properties of 2-chloro-1-piperidin-1-yl-2-[3-(trifluoromethoxy)phenyl]ethanone?
2-chloro-1-piperidin-1-yl-2-[3-(trifluoromethoxy)phenyl]ethanone has a molecular weight of 321.73 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-piperidin-1-yl-2-[3-(trifluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 107105193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).