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

C17H25NO2 — CID 60965814

IUPAC1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
SMILESCCC1CCN(CCOc2ccccc2C(C)=O)CC1
InChIInChI=1S/C17H25NO2/c1-3-15-8-10-18(11-9-15)12-13-20-17-7-5-4-6-16(17)14(2)19/h4-7,15H,3,8-13H2,1-2H3
InChIKeyPKDYLYDYNUCXPA-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.39
Rot. Bonds6

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

1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone (PubChem CID 60965814) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
PubChem CID60965814
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
SMILESCCC1CCN(CCOc2ccccc2C(C)=O)CC1
InChIInChI=1S/C17H25NO2/c1-3-15-8-10-18(11-9-15)12-13-20-17-7-5-4-6-16(17)14(2)19/h4-7,15H,3,8-13H2,1-2H3
InChIKeyPKDYLYDYNUCXPA-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-propylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 62204691
2-[2-(4-ethylpiperidin-1-yl)ethoxy]benzohydrazide
CID 63578943
1-[2-[2-(3-propylpyrrolidin-1-yl)ethoxy]phenyl]ethanone
CID 115667557
1-[2-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 43433400
1-[2-[2-(3-aminoazetidin-1-yl)ethoxy]phenyl]ethanone
CID 65250241
N-[1-[2-(2-acetylphenoxy)ethyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37469462
1-[2-(2-acetylphenoxy)ethyl]-3-ethylpiperidin-4-one
CID 114509724
1-[2-[6-(aziridin-1-yl)hexoxy]phenyl]ethanone
CID 167050597
1-[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]ethanone
CID 7380447
1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]ethanone
CID 104976918
2-[1-[2-(2-acetylphenoxy)ethyl]azetidin-3-yl]propanoic acid
CID 116683751
2-[2-(4-methylazepan-1-yl)ethoxy]benzoic acid
CID 63622429

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone (CID 60965814) is 1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone is CCC1CCN(CCOc2ccccc2C(C)=O)CC1.
What is the InChIKey of 1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone?
The InChIKey is PKDYLYDYNUCXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-15-8-10-18(11-9-15)12-13-20-17-7-5-4-6-16(17)14(2)19/h4-7,15H,3,8-13H2,1-2H3.
What are the key properties of 1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone?
1-[2-[2-(4-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-(4-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone is sourced from PubChem (CID 60965814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).