1-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanone

C15H21NO2 — CID 63845803

IUPAC1-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanone
SMILESCOc1ccccc1CN1CCCC(C(C)=O)C1
InChIInChI=1S/C15H21NO2/c1-12(17)13-7-5-9-16(10-13)11-14-6-3-4-8-15(14)18-2/h3-4,6,8,13H,5,7,9-11H2,1-2H3
InChIKeyFZKBPDINJLQANY-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.50
Rot. Bonds4

About 1-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanone

1-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanone (PubChem CID 63845803) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanone
PubChem CID63845803
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanone
SMILESCOc1ccccc1CN1CCCC(C(C)=O)C1
InChIInChI=1S/C15H21NO2/c1-12(17)13-7-5-9-16(10-13)11-14-6-3-4-8-15(14)18-2/h3-4,6,8,13H,5,7,9-11H2,1-2H3
InChIKeyFZKBPDINJLQANY-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42361324
1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone
CID 63846661
N-[(2-methoxyphenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43921128
1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 23884997
3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 75514876
cyclopentyl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398973
1-[(2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid
CID 54848340
3-(bromomethyl)-1-[(2-methoxyphenyl)methyl]piperidine
CID 80680227
1-[(3-methoxynaphthalen-2-yl)methyl]piperidine-3-carboxylic acid
CID 122040667
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 63845792
1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid
CID 54848176
1-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]ethanone
CID 55257955

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanone?
The IUPAC name of 1-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanone (CID 63845803) is 1-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanone?
The canonical SMILES for 1-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanone is COc1ccccc1CN1CCCC(C(C)=O)C1.
What is the InChIKey of 1-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanone?
The InChIKey is FZKBPDINJLQANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(17)13-7-5-9-16(10-13)11-14-6-3-4-8-15(14)18-2/h3-4,6,8,13H,5,7,9-11H2,1-2H3.
What are the key properties of 1-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanone?
1-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanone has a molecular weight of 247.34 g/mol, XLogP of 2.50, 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-3-yl]ethanone is sourced from PubChem (CID 63845803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).