1-cyclooctyl-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one

C19H30N2O2 — CID 94960122

IUPAC1-cyclooctyl-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one
SMILESO=c1cc(CN2CCCCC2)n(C2CCCCCCC2)cc1O
InChIInChI=1S/C19H30N2O2/c22-18-13-17(14-20-11-7-4-8-12-20)21(15-19(18)23)16-9-5-2-1-3-6-10-16/h13,15-16,23H,1-12,14H2
InChIKeyBPQRJIMLSDSJRS-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.83
Rot. Bonds3

About 1-cyclooctyl-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one

1-cyclooctyl-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one (PubChem CID 94960122) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-cyclooctyl-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name1-cyclooctyl-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one
PubChem CID94960122
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name1-cyclooctyl-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one
SMILESO=c1cc(CN2CCCCC2)n(C2CCCCCCC2)cc1O
InChIInChI=1S/C19H30N2O2/c22-18-13-17(14-20-11-7-4-8-12-20)21(15-19(18)23)16-9-5-2-1-3-6-10-16/h13,15-16,23H,1-12,14H2
InChIKeyBPQRJIMLSDSJRS-UHFFFAOYSA-N
XLogP3.83
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one?
The IUPAC name of 1-cyclooctyl-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one (CID 94960122) is 1-cyclooctyl-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one.
What is the SMILES notation for 1-cyclooctyl-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one?
The canonical SMILES for 1-cyclooctyl-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one is O=c1cc(CN2CCCCC2)n(C2CCCCCCC2)cc1O.
What is the InChIKey of 1-cyclooctyl-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one?
The InChIKey is BPQRJIMLSDSJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c22-18-13-17(14-20-11-7-4-8-12-20)21(15-19(18)23)16-9-5-2-1-3-6-10-16/h13,15-16,23H,1-12,14H2.
What are the key properties of 1-cyclooctyl-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one?
1-cyclooctyl-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one has a molecular weight of 318.46 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one is sourced from PubChem (CID 94960122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).