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

C16H23NO3 — CID 38016131

IUPAC3-(3,4-dimethoxyphenyl)-1-piperidin-1-ylpropan-1-one
SMILESCOc1ccc(CCC(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C16H23NO3/c1-19-14-8-6-13(12-15(14)20-2)7-9-16(18)17-10-4-3-5-11-17/h6,8,12H,3-5,7,9-11H2,1-2H3
InChIKeyDUUFSJQTQAGBDI-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.65
Rot. Bonds5

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

3-(3,4-dimethoxyphenyl)-1-piperidin-1-ylpropan-1-one (PubChem CID 38016131) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-1-piperidin-1-ylpropan-1-one
PubChem CID38016131
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-(3,4-dimethoxyphenyl)-1-piperidin-1-ylpropan-1-one
SMILESCOc1ccc(CCC(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C16H23NO3/c1-19-14-8-6-13(12-15(14)20-2)7-9-16(18)17-10-4-3-5-11-17/h6,8,12H,3-5,7,9-11H2,1-2H3
InChIKeyDUUFSJQTQAGBDI-UHFFFAOYSA-N
XLogP2.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-1-piperidin-1-ylpropan-1-one (CID 38016131) is 3-(3,4-dimethoxyphenyl)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-1-piperidin-1-ylpropan-1-one is COc1ccc(CCC(=O)N2CCCCC2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-1-piperidin-1-ylpropan-1-one?
The InChIKey is DUUFSJQTQAGBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-19-14-8-6-13(12-15(14)20-2)7-9-16(18)17-10-4-3-5-11-17/h6,8,12H,3-5,7,9-11H2,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-1-piperidin-1-ylpropan-1-one?
3-(3,4-dimethoxyphenyl)-1-piperidin-1-ylpropan-1-one has a molecular weight of 277.36 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 38016131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).