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

C14H19NO4 — CID 22000265

IUPAC1-(2,4,5-trimethoxyphenyl)piperidin-4-one
SMILESCOc1cc(OC)c(N2CCC(=O)CC2)cc1OC
InChIInChI=1S/C14H19NO4/c1-17-12-9-14(19-3)13(18-2)8-11(12)15-6-4-10(16)5-7-15/h8-9H,4-7H2,1-3H3
InChIKeyYDYXORCIHMGYFT-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.88
Rot. Bonds4

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

1-(2,4,5-trimethoxyphenyl)piperidin-4-one (PubChem CID 22000265) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(2,4,5-trimethoxyphenyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2,4,5-trimethoxyphenyl)piperidin-4-one
PubChem CID22000265
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name1-(2,4,5-trimethoxyphenyl)piperidin-4-one
SMILESCOc1cc(OC)c(N2CCC(=O)CC2)cc1OC
InChIInChI=1S/C14H19NO4/c1-17-12-9-14(19-3)13(18-2)8-11(12)15-6-4-10(16)5-7-15/h8-9H,4-7H2,1-3H3
InChIKeyYDYXORCIHMGYFT-UHFFFAOYSA-N
XLogP1.88
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,5-trimethoxyphenyl)piperidin-4-one?
The IUPAC name of 1-(2,4,5-trimethoxyphenyl)piperidin-4-one (CID 22000265) is 1-(2,4,5-trimethoxyphenyl)piperidin-4-one.
What is the SMILES notation for 1-(2,4,5-trimethoxyphenyl)piperidin-4-one?
The canonical SMILES for 1-(2,4,5-trimethoxyphenyl)piperidin-4-one is COc1cc(OC)c(N2CCC(=O)CC2)cc1OC.
What is the InChIKey of 1-(2,4,5-trimethoxyphenyl)piperidin-4-one?
The InChIKey is YDYXORCIHMGYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-17-12-9-14(19-3)13(18-2)8-11(12)15-6-4-10(16)5-7-15/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-(2,4,5-trimethoxyphenyl)piperidin-4-one?
1-(2,4,5-trimethoxyphenyl)piperidin-4-one has a molecular weight of 265.31 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,5-trimethoxyphenyl)piperidin-4-one is sourced from PubChem (CID 22000265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).