1-[(3-methoxyphenyl)methyl]piperidin-4-one

C13H17NO2 — CID 11959540

IUPAC1-[(3-methoxyphenyl)methyl]piperidin-4-one
SMILESCOc1cccc(CN2CCC(=O)CC2)c1
InChIInChI=1S/C13H17NO2/c1-16-13-4-2-3-11(9-13)10-14-7-5-12(15)6-8-14/h2-4,9H,5-8,10H2,1H3
InChIKeyJKWQJPKVFRHUDD-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.86
Rot. Bonds3

About 1-[(3-methoxyphenyl)methyl]piperidin-4-one

1-[(3-methoxyphenyl)methyl]piperidin-4-one (PubChem CID 11959540) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]piperidin-4-one.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]piperidin-4-one
PubChem CID11959540
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-[(3-methoxyphenyl)methyl]piperidin-4-one
SMILESCOc1cccc(CN2CCC(=O)CC2)c1
InChIInChI=1S/C13H17NO2/c1-16-13-4-2-3-11(9-13)10-14-7-5-12(15)6-8-14/h2-4,9H,5-8,10H2,1H3
InChIKeyJKWQJPKVFRHUDD-UHFFFAOYSA-N
XLogP1.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]piperidin-4-one?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]piperidin-4-one (CID 11959540) is 1-[(3-methoxyphenyl)methyl]piperidin-4-one.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]piperidin-4-one?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]piperidin-4-one is COc1cccc(CN2CCC(=O)CC2)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]piperidin-4-one?
The InChIKey is JKWQJPKVFRHUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-16-13-4-2-3-11(9-13)10-14-7-5-12(15)6-8-14/h2-4,9H,5-8,10H2,1H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl]piperidin-4-one?
1-[(3-methoxyphenyl)methyl]piperidin-4-one has a molecular weight of 219.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]piperidin-4-one is sourced from PubChem (CID 11959540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).