2-(2-ethoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone

C16H23NO2 — CID 134503396

IUPAC2-(2-ethoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
SMILESCCOc1ccccc1CC(=O)N1CCCC[C@H]1C
InChIInChI=1S/C16H23NO2/c1-3-19-15-10-5-4-9-14(15)12-16(18)17-11-7-6-8-13(17)2/h4-5,9-10,13H,3,6-8,11-12H2,1-2H3/t13-/m1/s1
InChIKeyOCBLBTCQTYSCGM-CYBMUJFWSA-N
MW261.37 g/mol
LogP3.03
Rot. Bonds4

About 2-(2-ethoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone

2-(2-ethoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone (PubChem CID 134503396) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
PubChem CID134503396
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-(2-ethoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
SMILESCCOc1ccccc1CC(=O)N1CCCC[C@H]1C
InChIInChI=1S/C16H23NO2/c1-3-19-15-10-5-4-9-14(15)12-16(18)17-11-7-6-8-13(17)2/h4-5,9-10,13H,3,6-8,11-12H2,1-2H3/t13-/m1/s1
InChIKeyOCBLBTCQTYSCGM-CYBMUJFWSA-N
XLogP3.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-2-methylpiperidine-1-carboxamide
CID 47376286
2-(2-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 127119816
2-[2-(aminomethyl)phenyl]-1-(2-methylazepan-1-yl)ethanone
CID 81322400
3-(2-ethoxyphenyl)-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43421333
(2S)-1-[3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid
CID 124683442
N-(2-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523411
2-(2-methylphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone
CID 110728198
3-(2-chlorophenyl)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 78785123
(2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 79034352
3-(3-amino-4-ethoxyphenyl)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 82071355
methyl (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835759
2-(4-hydroxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 110465878

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone?
The IUPAC name of 2-(2-ethoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone (CID 134503396) is 2-(2-ethoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-ethoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-ethoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone is CCOc1ccccc1CC(=O)N1CCCC[C@H]1C.
What is the InChIKey of 2-(2-ethoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone?
The InChIKey is OCBLBTCQTYSCGM-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-19-15-10-5-4-9-14(15)12-16(18)17-11-7-6-8-13(17)2/h4-5,9-10,13H,3,6-8,11-12H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-(2-ethoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone?
2-(2-ethoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone has a molecular weight of 261.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 134503396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).