1-(2-methoxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone

C15H22NO2+ — CID 2422706

IUPAC1-(2-methoxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone
SMILESCOc1ccccc1C(=O)C[NH+]1CCCC[C@@H]1C
InChIInChI=1S/C15H21NO2/c1-12-7-5-6-10-16(12)11-14(17)13-8-3-4-9-15(13)18-2/h3-4,8-9,12H,5-7,10-11H2,1-2H3/p+1/t12-/m0/s1
InChIKeyTXWVZQXYORSYJV-LBPRGKRZSA-O
MW248.35 g/mol
LogP1.34
Rot. Bonds4

About 1-(2-methoxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone

1-(2-methoxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone (PubChem CID 2422706) has the molecular formula C15H22NO2+ and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone
PubChem CID2422706
Molecular FormulaC15H22NO2+
Molecular Weight248.35 g/mol
Exact Mass248.16
IUPAC Name1-(2-methoxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone
SMILESCOc1ccccc1C(=O)C[NH+]1CCCC[C@@H]1C
InChIInChI=1S/C15H21NO2/c1-12-7-5-6-10-16(12)11-14(17)13-8-3-4-9-15(13)18-2/h3-4,8-9,12H,5-7,10-11H2,1-2H3/p+1/t12-/m0/s1
InChIKeyTXWVZQXYORSYJV-LBPRGKRZSA-O
XLogP1.34
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 8623412
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone
CID 62034936
2-[cyclopropyl(ethyl)amino]-1-(2-methoxyphenyl)ethanone
CID 43794992
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
cyclohexyl 2-methoxybenzenecarboperoxoate
CID 173268005
3-cyclobutyl-3-hydroxy-1-(2-methoxyphenyl)propan-1-one
CID 102289193
2-(azepan-2-yl)-1-(2-methoxyphenyl)ethanone
CID 79536019
2-fluoro-1-(2-methoxyphenyl)ethanone
CID 11816076
(2-methylcyclohexyl) 2-methoxybenzenecarboperoxoate
CID 173266386
3-amino-1-(2-methoxyphenyl)-3-methylbutan-1-one
CID 116581224
2-cyclohexyl-2-hydroxy-1-(2-methoxyphenyl)ethanone
CID 103457383

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone?
The IUPAC name of 1-(2-methoxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone (CID 2422706) is 1-(2-methoxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone?
The canonical SMILES for 1-(2-methoxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone is COc1ccccc1C(=O)C[NH+]1CCCC[C@@H]1C.
What is the InChIKey of 1-(2-methoxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone?
The InChIKey is TXWVZQXYORSYJV-LBPRGKRZSA-O. The full InChI is InChI=1S/C15H21NO2/c1-12-7-5-6-10-16(12)11-14(17)13-8-3-4-9-15(13)18-2/h3-4,8-9,12H,5-7,10-11H2,1-2H3/p+1/t12-/m0/s1.
What are the key properties of 1-(2-methoxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone?
1-(2-methoxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone has a molecular weight of 248.35 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone is sourced from PubChem (CID 2422706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).