1-(2,5-diethoxyphenyl)piperidin-4-one

C15H21NO3 — CID 24711374

IUPAC1-(2,5-diethoxyphenyl)piperidin-4-one
SMILESCCOc1ccc(OCC)c(N2CCC(=O)CC2)c1
InChIInChI=1S/C15H21NO3/c1-3-18-13-5-6-15(19-4-2)14(11-13)16-9-7-12(17)8-10-16/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyDCZDFRQAUMPMFQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.65
Rot. Bonds5

About 1-(2,5-diethoxyphenyl)piperidin-4-one

1-(2,5-diethoxyphenyl)piperidin-4-one (PubChem CID 24711374) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(2,5-diethoxyphenyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2,5-diethoxyphenyl)piperidin-4-one
PubChem CID24711374
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-(2,5-diethoxyphenyl)piperidin-4-one
SMILESCCOc1ccc(OCC)c(N2CCC(=O)CC2)c1
InChIInChI=1S/C15H21NO3/c1-3-18-13-5-6-15(19-4-2)14(11-13)16-9-7-12(17)8-10-16/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyDCZDFRQAUMPMFQ-UHFFFAOYSA-N
XLogP2.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diethoxyphenyl)piperidin-4-one?
The IUPAC name of 1-(2,5-diethoxyphenyl)piperidin-4-one (CID 24711374) is 1-(2,5-diethoxyphenyl)piperidin-4-one.
What is the SMILES notation for 1-(2,5-diethoxyphenyl)piperidin-4-one?
The canonical SMILES for 1-(2,5-diethoxyphenyl)piperidin-4-one is CCOc1ccc(OCC)c(N2CCC(=O)CC2)c1.
What is the InChIKey of 1-(2,5-diethoxyphenyl)piperidin-4-one?
The InChIKey is DCZDFRQAUMPMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-18-13-5-6-15(19-4-2)14(11-13)16-9-7-12(17)8-10-16/h5-6,11H,3-4,7-10H2,1-2H3.
What are the key properties of 1-(2,5-diethoxyphenyl)piperidin-4-one?
1-(2,5-diethoxyphenyl)piperidin-4-one has a molecular weight of 263.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethoxyphenyl)piperidin-4-one is sourced from PubChem (CID 24711374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).