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

C18H27NO2 — CID 62204691

IUPAC1-[2-[2-(4-propylpiperidin-1-yl)ethoxy]phenyl]ethanone
SMILESCCCC1CCN(CCOc2ccccc2C(C)=O)CC1
InChIInChI=1S/C18H27NO2/c1-3-6-16-9-11-19(12-10-16)13-14-21-18-8-5-4-7-17(18)15(2)20/h4-5,7-8,16H,3,6,9-14H2,1-2H3
InChIKeyOZHROZNMSNGIRM-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.78
Rot. Bonds7

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

1-[2-[2-(4-propylpiperidin-1-yl)ethoxy]phenyl]ethanone (PubChem CID 62204691) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[2-[2-(4-propylpiperidin-1-yl)ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(4-propylpiperidin-1-yl)ethoxy]phenyl]ethanone
PubChem CID62204691
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-[2-[2-(4-propylpiperidin-1-yl)ethoxy]phenyl]ethanone
SMILESCCCC1CCN(CCOc2ccccc2C(C)=O)CC1
InChIInChI=1S/C18H27NO2/c1-3-6-16-9-11-19(12-10-16)13-14-21-18-8-5-4-7-17(18)15(2)20/h4-5,7-8,16H,3,6,9-14H2,1-2H3
InChIKeyOZHROZNMSNGIRM-UHFFFAOYSA-N
XLogP3.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(3-propylpyrrolidin-1-yl)ethoxy]phenyl]ethanone
CID 115667557
1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 60965814
1-[2-[2-(3-aminoazetidin-1-yl)ethoxy]phenyl]ethanone
CID 65250241
1-[2-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 43433400
N-[1-[2-(2-acetylphenoxy)ethyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37469462
2-[2-(4-ethylpiperidin-1-yl)ethoxy]benzohydrazide
CID 63578943
1-[2-[6-(aziridin-1-yl)hexoxy]phenyl]ethanone
CID 167050597
1-[2-(2-acetylphenoxy)ethyl]-3-ethylpiperidin-4-one
CID 114509724
(5R)-3-[2-(2-acetylphenoxy)ethyl]-5-propylimidazolidine-2,4-dione
CID 40803763
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-propylpiperidin-1-yl)ethoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[2-(4-propylpiperidin-1-yl)ethoxy]phenyl]ethanone (CID 62204691) is 1-[2-[2-(4-propylpiperidin-1-yl)ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-(4-propylpiperidin-1-yl)ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-(4-propylpiperidin-1-yl)ethoxy]phenyl]ethanone is CCCC1CCN(CCOc2ccccc2C(C)=O)CC1.
What is the InChIKey of 1-[2-[2-(4-propylpiperidin-1-yl)ethoxy]phenyl]ethanone?
The InChIKey is OZHROZNMSNGIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-6-16-9-11-19(12-10-16)13-14-21-18-8-5-4-7-17(18)15(2)20/h4-5,7-8,16H,3,6,9-14H2,1-2H3.
What are the key properties of 1-[2-[2-(4-propylpiperidin-1-yl)ethoxy]phenyl]ethanone?
1-[2-[2-(4-propylpiperidin-1-yl)ethoxy]phenyl]ethanone has a molecular weight of 289.42 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-propylpiperidin-1-yl)ethoxy]phenyl]ethanone is sourced from PubChem (CID 62204691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).