2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone

C16H23NO2 — CID 78760389

IUPAC2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCCc1ccccc1OCC(=O)N1CCC(C)CC1
InChIInChI=1S/C16H23NO2/c1-3-14-6-4-5-7-15(14)19-12-16(18)17-10-8-13(2)9-11-17/h4-7,13H,3,8-12H2,1-2H3
InChIKeyTYYQYSJKAWDPEU-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.89
Rot. Bonds4

About 2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone

2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 78760389) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID78760389
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCCc1ccccc1OCC(=O)N1CCC(C)CC1
InChIInChI=1S/C16H23NO2/c1-3-14-6-4-5-7-15(14)19-12-16(18)17-10-8-13(2)9-11-17/h4-7,13H,3,8-12H2,1-2H3
InChIKeyTYYQYSJKAWDPEU-UHFFFAOYSA-N
XLogP2.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]butanamide
CID 108555635
2-(2-ethylphenoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 110023413
2-[2-(aminomethyl)phenoxy]-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103504976
2-(2-ethylphenoxy)-1-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 124620495
2-(2-ethylphenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 124684295
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(2-ethylphenoxy)ethanone;hydrochloride
CID 119635472
2-[2-[[(1S,5R,6R)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methyl]phenoxy]-1-(4-methylpiperidin-1-yl)ethanone
CID 137338739
2-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550853
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-3-methoxypropanamide
CID 108556239
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549148
1-(4-benzylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone
CID 2476156
4-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550185

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone (CID 78760389) is 2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone is CCc1ccccc1OCC(=O)N1CCC(C)CC1.
What is the InChIKey of 2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is TYYQYSJKAWDPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-14-6-4-5-7-15(14)19-12-16(18)17-10-8-13(2)9-11-17/h4-7,13H,3,8-12H2,1-2H3.
What are the key properties of 2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone?
2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 261.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 78760389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).