2-[(3,5-dimethylpiperidin-1-yl)methyl]-5-hydroxy-1-(3-hydroxypropyl)pyridin-4-one

C16H26N2O3 — CID 82218017

IUPAC2-[(3,5-dimethylpiperidin-1-yl)methyl]-5-hydroxy-1-(3-hydroxypropyl)pyridin-4-one
SMILESCC1CC(C)CN(Cc2cc(=O)c(O)cn2CCCO)C1
InChIInChI=1S/C16H26N2O3/c1-12-6-13(2)9-17(8-12)10-14-7-15(20)16(21)11-18(14)4-3-5-19/h7,11-13,19,21H,3-6,8-10H2,1-2H3
InChIKeyIIFIZBYVAQZUOQ-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.41
Rot. Bonds5

About 2-[(3,5-dimethylpiperidin-1-yl)methyl]-5-hydroxy-1-(3-hydroxypropyl)pyridin-4-one

2-[(3,5-dimethylpiperidin-1-yl)methyl]-5-hydroxy-1-(3-hydroxypropyl)pyridin-4-one (PubChem CID 82218017) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[(3,5-dimethylpiperidin-1-yl)methyl]-5-hydroxy-1-(3-hydroxypropyl)pyridin-4-one.

Molecular Properties

Compound Name2-[(3,5-dimethylpiperidin-1-yl)methyl]-5-hydroxy-1-(3-hydroxypropyl)pyridin-4-one
PubChem CID82218017
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-[(3,5-dimethylpiperidin-1-yl)methyl]-5-hydroxy-1-(3-hydroxypropyl)pyridin-4-one
SMILESCC1CC(C)CN(Cc2cc(=O)c(O)cn2CCCO)C1
InChIInChI=1S/C16H26N2O3/c1-12-6-13(2)9-17(8-12)10-14-7-15(20)16(21)11-18(14)4-3-5-19/h7,11-13,19,21H,3-6,8-10H2,1-2H3
InChIKeyIIFIZBYVAQZUOQ-UHFFFAOYSA-N
XLogP1.41
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-5-hydroxy-1-(3-hydroxypropyl)pyridin-4-one?
The IUPAC name of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-5-hydroxy-1-(3-hydroxypropyl)pyridin-4-one (CID 82218017) is 2-[(3,5-dimethylpiperidin-1-yl)methyl]-5-hydroxy-1-(3-hydroxypropyl)pyridin-4-one.
What is the SMILES notation for 2-[(3,5-dimethylpiperidin-1-yl)methyl]-5-hydroxy-1-(3-hydroxypropyl)pyridin-4-one?
The canonical SMILES for 2-[(3,5-dimethylpiperidin-1-yl)methyl]-5-hydroxy-1-(3-hydroxypropyl)pyridin-4-one is CC1CC(C)CN(Cc2cc(=O)c(O)cn2CCCO)C1.
What is the InChIKey of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-5-hydroxy-1-(3-hydroxypropyl)pyridin-4-one?
The InChIKey is IIFIZBYVAQZUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12-6-13(2)9-17(8-12)10-14-7-15(20)16(21)11-18(14)4-3-5-19/h7,11-13,19,21H,3-6,8-10H2,1-2H3.
What are the key properties of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-5-hydroxy-1-(3-hydroxypropyl)pyridin-4-one?
2-[(3,5-dimethylpiperidin-1-yl)methyl]-5-hydroxy-1-(3-hydroxypropyl)pyridin-4-one has a molecular weight of 294.40 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylpiperidin-1-yl)methyl]-5-hydroxy-1-(3-hydroxypropyl)pyridin-4-one is sourced from PubChem (CID 82218017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).