1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one

C16H26N2O3 — CID 82217385

IUPAC1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one
SMILESCCCCn1c(CO)cc(=O)c(O)c1CN1CCCCC1
InChIInChI=1S/C16H26N2O3/c1-2-3-9-18-13(12-19)10-15(20)16(21)14(18)11-17-7-5-4-6-8-17/h10,19,21H,2-9,11-12H2,1H3
InChIKeyODGXEABOWMXNMY-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.83
Rot. Bonds6

About 1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one

1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one (PubChem CID 82217385) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one
PubChem CID82217385
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one
SMILESCCCCn1c(CO)cc(=O)c(O)c1CN1CCCCC1
InChIInChI=1S/C16H26N2O3/c1-2-3-9-18-13(12-19)10-15(20)16(21)14(18)11-17-7-5-4-6-8-17/h10,19,21H,2-9,11-12H2,1H3
InChIKeyODGXEABOWMXNMY-UHFFFAOYSA-N
XLogP1.83
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one?
The IUPAC name of 1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one (CID 82217385) is 1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one.
What is the SMILES notation for 1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one?
The canonical SMILES for 1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one is CCCCn1c(CO)cc(=O)c(O)c1CN1CCCCC1.
What is the InChIKey of 1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one?
The InChIKey is ODGXEABOWMXNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-2-3-9-18-13(12-19)10-15(20)16(21)14(18)11-17-7-5-4-6-8-17/h10,19,21H,2-9,11-12H2,1H3.
What are the key properties of 1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one?
1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one has a molecular weight of 294.40 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one is sourced from PubChem (CID 82217385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).