1-(2-methoxyphenyl)-4-piperidin-2-ylbutan-2-one

C16H23NO2 — CID 116563786

IUPAC1-(2-methoxyphenyl)-4-piperidin-2-ylbutan-2-one
SMILESCOc1ccccc1CC(=O)CCC1CCCCN1
InChIInChI=1S/C16H23NO2/c1-19-16-8-3-2-6-13(16)12-15(18)10-9-14-7-4-5-11-17-14/h2-3,6,8,14,17H,4-5,7,9-12H2,1H3
InChIKeyLIQGMTJNAZDYGO-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.73
Rot. Bonds6

About 1-(2-methoxyphenyl)-4-piperidin-2-ylbutan-2-one

1-(2-methoxyphenyl)-4-piperidin-2-ylbutan-2-one (PubChem CID 116563786) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-piperidin-2-ylbutan-2-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-piperidin-2-ylbutan-2-one
PubChem CID116563786
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(2-methoxyphenyl)-4-piperidin-2-ylbutan-2-one
SMILESCOc1ccccc1CC(=O)CCC1CCCCN1
InChIInChI=1S/C16H23NO2/c1-19-16-8-3-2-6-13(16)12-15(18)10-9-14-7-4-5-11-17-14/h2-3,6,8,14,17H,4-5,7,9-12H2,1H3
InChIKeyLIQGMTJNAZDYGO-UHFFFAOYSA-N
XLogP2.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-methoxyphenyl)-4-piperidin-2-ylbutan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluoro-3-methoxyphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563754
1-(2-methylphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563692
N-cyclopropyl-2-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 104974150
1-methoxynaphthalene;4-piperidin-2-ylbutanoic acid
CID 143873908
1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-2-ylpropan-1-one
CID 116563723
1-methoxy-4-piperidin-2-ylbutan-2-one
CID 116563611
2-(azepan-2-yl)-1-(2-methoxyphenyl)ethanone
CID 79536019
2-[2-(2,3-dimethoxyphenyl)ethyl]piperidine
CID 43146765
1-(2,4-dimethoxyphenyl)-3-piperidin-2-ylpropan-1-one
CID 116563552
1-(3-hydroxyphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563570
4-cyclopentyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one
CID 115800308
1-(2-methoxyphenyl)-3-pyrrolidin-3-ylpropan-2-one
CID 116583565

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-piperidin-2-ylbutan-2-one?
The IUPAC name of 1-(2-methoxyphenyl)-4-piperidin-2-ylbutan-2-one (CID 116563786) is 1-(2-methoxyphenyl)-4-piperidin-2-ylbutan-2-one.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-piperidin-2-ylbutan-2-one?
The canonical SMILES for 1-(2-methoxyphenyl)-4-piperidin-2-ylbutan-2-one is COc1ccccc1CC(=O)CCC1CCCCN1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-piperidin-2-ylbutan-2-one?
The InChIKey is LIQGMTJNAZDYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-19-16-8-3-2-6-13(16)12-15(18)10-9-14-7-4-5-11-17-14/h2-3,6,8,14,17H,4-5,7,9-12H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-4-piperidin-2-ylbutan-2-one?
1-(2-methoxyphenyl)-4-piperidin-2-ylbutan-2-one has a molecular weight of 261.37 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-piperidin-2-ylbutan-2-one is sourced from PubChem (CID 116563786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).