1-(2,4-dimethoxyphenyl)-3-piperidin-2-ylpropan-1-one

C16H23NO3 — CID 116563552

IUPAC1-(2,4-dimethoxyphenyl)-3-piperidin-2-ylpropan-1-one
SMILESCOc1ccc(C(=O)CCC2CCCCN2)c(OC)c1
InChIInChI=1S/C16H23NO3/c1-19-13-7-8-14(16(11-13)20-2)15(18)9-6-12-5-3-4-10-17-12/h7-8,11-12,17H,3-6,9-10H2,1-2H3
InChIKeyDOQGYGNNSSKVNV-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.81
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-3-piperidin-2-ylpropan-1-one

1-(2,4-dimethoxyphenyl)-3-piperidin-2-ylpropan-1-one (PubChem CID 116563552) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-piperidin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-piperidin-2-ylpropan-1-one
PubChem CID116563552
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-(2,4-dimethoxyphenyl)-3-piperidin-2-ylpropan-1-one
SMILESCOc1ccc(C(=O)CCC2CCCCN2)c(OC)c1
InChIInChI=1S/C16H23NO3/c1-19-13-7-8-14(16(11-13)20-2)15(18)9-6-12-5-3-4-10-17-12/h7-8,11-12,17H,3-6,9-10H2,1-2H3
InChIKeyDOQGYGNNSSKVNV-UHFFFAOYSA-N
XLogP2.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-2-ylpropan-1-one
CID 116563723
2-[(2,4-dimethoxyphenyl)methyl]piperidine
CID 62800646
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
1-(2-methoxyphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563786
N-(3-methoxyphenyl)-N-methyl-3-piperidin-2-ylpropanamide
CID 62211493
N-[(4-methoxyphenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide
CID 62211595
1-(2-fluoro-3-methoxyphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563754
2-(azepan-2-yl)-1-(2-methoxyphenyl)ethanone
CID 79536019
4-(2,4-dimethoxyphenyl)-4-oxobutanamide
CID 56984225
1-(4-methylphenyl)-3-piperidin-2-ylpropan-1-one
CID 116563575
1-naphthalen-1-yl-3-piperidin-2-ylpropan-1-one
CID 116563794
4-methoxy-2-(2-piperidin-2-ylethoxy)benzonitrile
CID 81305377

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-piperidin-2-ylpropan-1-one?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-piperidin-2-ylpropan-1-one (CID 116563552) is 1-(2,4-dimethoxyphenyl)-3-piperidin-2-ylpropan-1-one.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-piperidin-2-ylpropan-1-one?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-piperidin-2-ylpropan-1-one is COc1ccc(C(=O)CCC2CCCCN2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-piperidin-2-ylpropan-1-one?
The InChIKey is DOQGYGNNSSKVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-19-13-7-8-14(16(11-13)20-2)15(18)9-6-12-5-3-4-10-17-12/h7-8,11-12,17H,3-6,9-10H2,1-2H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-piperidin-2-ylpropan-1-one?
1-(2,4-dimethoxyphenyl)-3-piperidin-2-ylpropan-1-one has a molecular weight of 277.36 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-piperidin-2-ylpropan-1-one is sourced from PubChem (CID 116563552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).