1-[2-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone

C17H25NO2 — CID 43433400

IUPAC1-[2-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
SMILESCCC1CCCN(CCOc2ccccc2C(C)=O)C1
InChIInChI=1S/C17H25NO2/c1-3-15-7-6-10-18(13-15)11-12-20-17-9-5-4-8-16(17)14(2)19/h4-5,8-9,15H,3,6-7,10-13H2,1-2H3
InChIKeyCTPYUFDPIROEPG-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.39
Rot. Bonds6

About 1-[2-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone

1-[2-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone (PubChem CID 43433400) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[2-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
PubChem CID43433400
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[2-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
SMILESCCC1CCCN(CCOc2ccccc2C(C)=O)C1
InChIInChI=1S/C17H25NO2/c1-3-15-7-6-10-18(13-15)11-12-20-17-9-5-4-8-16(17)14(2)19/h4-5,8-9,15H,3,6-7,10-13H2,1-2H3
InChIKeyCTPYUFDPIROEPG-UHFFFAOYSA-N
XLogP3.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 60965814
1-[2-[2-(3-propylpyrrolidin-1-yl)ethoxy]phenyl]ethanone
CID 115667557
1-[2-[2-(3-aminoazetidin-1-yl)ethoxy]phenyl]ethanone
CID 65250241
1-[2-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]phenyl]ethanone
CID 7394124
1-[2-(2-acetylphenoxy)ethyl]-3-ethylpiperidin-4-one
CID 114509724
1-[2-[2-(4-propylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 62204691
1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]ethanone
CID 104976918
1-[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]ethanone
CID 7380447
1-[2-[2-[methyl-(1-methylpiperidin-3-yl)amino]ethoxy]phenyl]ethanone
CID 62547332
[1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]methanol
CID 60645197
2-[1-[2-(2-acetylphenoxy)ethyl]azetidin-3-yl]propanoic acid
CID 116683751
2-[2-(4-ethylpiperidin-1-yl)ethoxy]benzohydrazide
CID 63578943

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone (CID 43433400) is 1-[2-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone is CCC1CCCN(CCOc2ccccc2C(C)=O)C1.
What is the InChIKey of 1-[2-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone?
The InChIKey is CTPYUFDPIROEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-15-7-6-10-18(13-15)11-12-20-17-9-5-4-8-16(17)14(2)19/h4-5,8-9,15H,3,6-7,10-13H2,1-2H3.
What are the key properties of 1-[2-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone?
1-[2-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone has a molecular weight of 275.39 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone is sourced from PubChem (CID 43433400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).