3-[5-ethyl-2-(trifluoromethoxy)phenyl]-1-piperidin-1-ylpropan-1-one

C17H22F3NO2 — CID 59382505

IUPAC3-[5-ethyl-2-(trifluoromethoxy)phenyl]-1-piperidin-1-ylpropan-1-one
SMILESCCc1ccc(OC(F)(F)F)c(CCC(=O)N2CCCCC2)c1
InChIInChI=1S/C17H22F3NO2/c1-2-13-6-8-15(23-17(18,19)20)14(12-13)7-9-16(22)21-10-4-3-5-11-21/h6,8,12H,2-5,7,9-11H2,1H3
InChIKeyRRZMDDCMEFDYHK-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.09
Rot. Bonds5

About 3-[5-ethyl-2-(trifluoromethoxy)phenyl]-1-piperidin-1-ylpropan-1-one

3-[5-ethyl-2-(trifluoromethoxy)phenyl]-1-piperidin-1-ylpropan-1-one (PubChem CID 59382505) has the molecular formula C17H22F3NO2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-[5-ethyl-2-(trifluoromethoxy)phenyl]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[5-ethyl-2-(trifluoromethoxy)phenyl]-1-piperidin-1-ylpropan-1-one
PubChem CID59382505
Molecular FormulaC17H22F3NO2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC Name3-[5-ethyl-2-(trifluoromethoxy)phenyl]-1-piperidin-1-ylpropan-1-one
SMILESCCc1ccc(OC(F)(F)F)c(CCC(=O)N2CCCCC2)c1
InChIInChI=1S/C17H22F3NO2/c1-2-13-6-8-15(23-17(18,19)20)14(12-13)7-9-16(22)21-10-4-3-5-11-21/h6,8,12H,2-5,7,9-11H2,1H3
InChIKeyRRZMDDCMEFDYHK-UHFFFAOYSA-N
XLogP4.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-3-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 142657095
2-(chloromethyl)-4-ethyl-1-(trifluoromethoxy)benzene
CID 170998699
1-[4-(methylamino)piperidin-1-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one
CID 119562922
1-[4-(methylaminomethyl)piperidin-1-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one;hydrochloride
CID 119545847
2-(5-ethyl-2-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82090895
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-[4-(trifluoromethoxy)phenyl]propan-1-one
CID 119647269
[3-chloro-4-(trifluoromethoxy)phenyl]methyl piperidine-1-carboxylate
CID 66720549
3-(4-acetylphenyl)-1-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propan-1-one
CID 147622228
1-(azepan-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 60667511
1-[4-[3-(3,4-dimethoxyphenyl)propanoyl]-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 108547888
ethyl 3-[2-methoxy-5-(trifluoromethoxy)phenyl]propanoate
CID 134632480
3-[3-amino-4-(2-methylpropoxy)phenyl]-1-piperidin-1-ylpropan-1-one
CID 82153351

Frequently Asked Questions

What is the IUPAC name of 3-[5-ethyl-2-(trifluoromethoxy)phenyl]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[5-ethyl-2-(trifluoromethoxy)phenyl]-1-piperidin-1-ylpropan-1-one (CID 59382505) is 3-[5-ethyl-2-(trifluoromethoxy)phenyl]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[5-ethyl-2-(trifluoromethoxy)phenyl]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[5-ethyl-2-(trifluoromethoxy)phenyl]-1-piperidin-1-ylpropan-1-one is CCc1ccc(OC(F)(F)F)c(CCC(=O)N2CCCCC2)c1.
What is the InChIKey of 3-[5-ethyl-2-(trifluoromethoxy)phenyl]-1-piperidin-1-ylpropan-1-one?
The InChIKey is RRZMDDCMEFDYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3NO2/c1-2-13-6-8-15(23-17(18,19)20)14(12-13)7-9-16(22)21-10-4-3-5-11-21/h6,8,12H,2-5,7,9-11H2,1H3.
What are the key properties of 3-[5-ethyl-2-(trifluoromethoxy)phenyl]-1-piperidin-1-ylpropan-1-one?
3-[5-ethyl-2-(trifluoromethoxy)phenyl]-1-piperidin-1-ylpropan-1-one has a molecular weight of 329.36 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-ethyl-2-(trifluoromethoxy)phenyl]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 59382505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).