1-[4-(difluoromethoxy)phenyl]-2-(2-ethylpiperidin-1-yl)ethanone

C16H21F2NO2 — CID 3572482

IUPAC1-[4-(difluoromethoxy)phenyl]-2-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1CC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H21F2NO2/c1-2-13-5-3-4-10-19(13)11-15(20)12-6-8-14(9-7-12)21-16(17)18/h6-9,13,16H,2-5,10-11H2,1H3
InChIKeyQHVDUMONPRLXRR-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.74
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-2-(2-ethylpiperidin-1-yl)ethanone

1-[4-(difluoromethoxy)phenyl]-2-(2-ethylpiperidin-1-yl)ethanone (PubChem CID 3572482) has the molecular formula C16H21F2NO2 and a molecular weight of 297.34 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-2-(2-ethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-2-(2-ethylpiperidin-1-yl)ethanone
PubChem CID3572482
Molecular FormulaC16H21F2NO2
Molecular Weight297.34 g/mol
Exact Mass297.15
IUPAC Name1-[4-(difluoromethoxy)phenyl]-2-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1CC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H21F2NO2/c1-2-13-5-3-4-10-19(13)11-15(20)12-6-8-14(9-7-12)21-16(17)18/h6-9,13,16H,2-5,10-11H2,1H3
InChIKeyQHVDUMONPRLXRR-UHFFFAOYSA-N
XLogP3.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Methedrone
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2-(Pyrrolidin-1-yl)-1-(4-methoxyphenyl)pentan-1-one
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Propiophenone, 4'-butoxy-3-morpholino-, hydrochloride
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Propipocaine hydrochloride
CID 70863
Propiophenone, 4'-methoxy-3-morpholino-, hydrochloride
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CID 3079854

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-(2-ethylpiperidin-1-yl)ethanone?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-(2-ethylpiperidin-1-yl)ethanone (CID 3572482) is 1-[4-(difluoromethoxy)phenyl]-2-(2-ethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-2-(2-ethylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-2-(2-ethylpiperidin-1-yl)ethanone is CCC1CCCCN1CC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-2-(2-ethylpiperidin-1-yl)ethanone?
The InChIKey is QHVDUMONPRLXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO2/c1-2-13-5-3-4-10-19(13)11-15(20)12-6-8-14(9-7-12)21-16(17)18/h6-9,13,16H,2-5,10-11H2,1H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-2-(2-ethylpiperidin-1-yl)ethanone?
1-[4-(difluoromethoxy)phenyl]-2-(2-ethylpiperidin-1-yl)ethanone has a molecular weight of 297.34 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-2-(2-ethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 3572482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).