1-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]ethanone

C15H21NO2 — CID 55257955

IUPAC1-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]ethanone
SMILESCOc1ccccc1CN1CCCCC1C(C)=O
InChIInChI=1S/C15H21NO2/c1-12(17)14-8-5-6-10-16(14)11-13-7-3-4-9-15(13)18-2/h3-4,7,9,14H,5-6,8,10-11H2,1-2H3
InChIKeyTWYVMTVYTYJKDR-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.64
Rot. Bonds4

About 1-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]ethanone

1-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]ethanone (PubChem CID 55257955) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]ethanone
PubChem CID55257955
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]ethanone
SMILESCOc1ccccc1CN1CCCCC1C(C)=O
InChIInChI=1S/C15H21NO2/c1-12(17)14-8-5-6-10-16(14)11-13-7-3-4-9-15(13)18-2/h3-4,7,9,14H,5-6,8,10-11H2,1-2H3
InChIKeyTWYVMTVYTYJKDR-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethanone
CID 63846016
N-(diaminomethylidene)-1-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 54108102
1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5175119
1-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 63845803
1-[(2-methoxyphenyl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide
CID 45225109
2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947454
methyl (2R)-1-[(2-bromophenyl)methyl]piperidine-2-carboxylate
CID 79833485
cyclopentyl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398973
(2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 79034352
5-[(2-acetylpiperidin-1-yl)methyl]-2-methoxybenzonitrile
CID 65340072
1-[(2S)-1-[[2,5-dimethoxy-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methyl]piperidin-2-yl]ethanone
CID 170291055
methyl (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835759

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]ethanone?
The IUPAC name of 1-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]ethanone (CID 55257955) is 1-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]ethanone.
What is the SMILES notation for 1-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]ethanone?
The canonical SMILES for 1-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]ethanone is COc1ccccc1CN1CCCCC1C(C)=O.
What is the InChIKey of 1-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]ethanone?
The InChIKey is TWYVMTVYTYJKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(17)14-8-5-6-10-16(14)11-13-7-3-4-9-15(13)18-2/h3-4,7,9,14H,5-6,8,10-11H2,1-2H3.
What are the key properties of 1-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]ethanone?
1-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]ethanone has a molecular weight of 247.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]ethanone is sourced from PubChem (CID 55257955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).