1-butan-2-yl-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one

C16H26N2O2 — CID 82217140

IUPAC1-butan-2-yl-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one
SMILESCCC(C)n1c(C)cc(=O)c(O)c1CN1CCCCC1
InChIInChI=1S/C16H26N2O2/c1-4-12(2)18-13(3)10-15(19)16(20)14(18)11-17-8-6-5-7-9-17/h10,12,20H,4-9,11H2,1-3H3
InChIKeyJAIKTHNUCJSFDE-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.82
Rot. Bonds4

About 1-butan-2-yl-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one

1-butan-2-yl-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one (PubChem CID 82217140) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-butan-2-yl-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name1-butan-2-yl-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one
PubChem CID82217140
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-butan-2-yl-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one
SMILESCCC(C)n1c(C)cc(=O)c(O)c1CN1CCCCC1
InChIInChI=1S/C16H26N2O2/c1-4-12(2)18-13(3)10-15(19)16(20)14(18)11-17-8-6-5-7-9-17/h10,12,20H,4-9,11H2,1-3H3
InChIKeyJAIKTHNUCJSFDE-UHFFFAOYSA-N
XLogP2.82
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one?
The IUPAC name of 1-butan-2-yl-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one (CID 82217140) is 1-butan-2-yl-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one.
What is the SMILES notation for 1-butan-2-yl-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one?
The canonical SMILES for 1-butan-2-yl-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one is CCC(C)n1c(C)cc(=O)c(O)c1CN1CCCCC1.
What is the InChIKey of 1-butan-2-yl-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one?
The InChIKey is JAIKTHNUCJSFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-12(2)18-13(3)10-15(19)16(20)14(18)11-17-8-6-5-7-9-17/h10,12,20H,4-9,11H2,1-3H3.
What are the key properties of 1-butan-2-yl-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one?
1-butan-2-yl-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one has a molecular weight of 278.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one is sourced from PubChem (CID 82217140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).