3-hydroxy-2-methyl-1-(4-piperidin-1-ylbutyl)pyridin-4-one

C15H24N2O2 — CID 70802408

IUPAC3-hydroxy-2-methyl-1-(4-piperidin-1-ylbutyl)pyridin-4-one
SMILESCc1c(O)c(=O)ccn1CCCCN1CCCCC1
InChIInChI=1S/C15H24N2O2/c1-13-15(19)14(18)7-12-17(13)11-6-5-10-16-8-3-2-4-9-16/h7,12,19H,2-6,8-11H2,1H3
InChIKeyZXRMAFZYAMASLA-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.13
Rot. Bonds5

About 3-hydroxy-2-methyl-1-(4-piperidin-1-ylbutyl)pyridin-4-one

3-hydroxy-2-methyl-1-(4-piperidin-1-ylbutyl)pyridin-4-one (PubChem CID 70802408) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-1-(4-piperidin-1-ylbutyl)pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-methyl-1-(4-piperidin-1-ylbutyl)pyridin-4-one
PubChem CID70802408
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-hydroxy-2-methyl-1-(4-piperidin-1-ylbutyl)pyridin-4-one
SMILESCc1c(O)c(=O)ccn1CCCCN1CCCCC1
InChIInChI=1S/C15H24N2O2/c1-13-15(19)14(18)7-12-17(13)11-6-5-10-16-8-3-2-4-9-16/h7,12,19H,2-6,8-11H2,1H3
InChIKeyZXRMAFZYAMASLA-UHFFFAOYSA-N
XLogP2.13
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-1-(4-piperidin-1-ylbutyl)pyridin-4-one?
The IUPAC name of 3-hydroxy-2-methyl-1-(4-piperidin-1-ylbutyl)pyridin-4-one (CID 70802408) is 3-hydroxy-2-methyl-1-(4-piperidin-1-ylbutyl)pyridin-4-one.
What is the SMILES notation for 3-hydroxy-2-methyl-1-(4-piperidin-1-ylbutyl)pyridin-4-one?
The canonical SMILES for 3-hydroxy-2-methyl-1-(4-piperidin-1-ylbutyl)pyridin-4-one is Cc1c(O)c(=O)ccn1CCCCN1CCCCC1.
What is the InChIKey of 3-hydroxy-2-methyl-1-(4-piperidin-1-ylbutyl)pyridin-4-one?
The InChIKey is ZXRMAFZYAMASLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-13-15(19)14(18)7-12-17(13)11-6-5-10-16-8-3-2-4-9-16/h7,12,19H,2-6,8-11H2,1H3.
What are the key properties of 3-hydroxy-2-methyl-1-(4-piperidin-1-ylbutyl)pyridin-4-one?
3-hydroxy-2-methyl-1-(4-piperidin-1-ylbutyl)pyridin-4-one has a molecular weight of 264.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-1-(4-piperidin-1-ylbutyl)pyridin-4-one is sourced from PubChem (CID 70802408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).