5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-1-(1-phenylethyl)pyridin-4-one

C20H26N2O2 — CID 82218571

IUPAC5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-1-(1-phenylethyl)pyridin-4-one
SMILESCC1CCCCN1Cc1cc(=O)c(O)cn1C(C)c1ccccc1
InChIInChI=1S/C20H26N2O2/c1-15-8-6-7-11-21(15)13-18-12-19(23)20(24)14-22(18)16(2)17-9-4-3-5-10-17/h3-5,9-10,12,14-16,24H,6-8,11,13H2,1-2H3
InChIKeyGRGMZFSLWOWBRP-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.54
Rot. Bonds4

About 5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-1-(1-phenylethyl)pyridin-4-one

5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-1-(1-phenylethyl)pyridin-4-one (PubChem CID 82218571) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-1-(1-phenylethyl)pyridin-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-1-(1-phenylethyl)pyridin-4-one
PubChem CID82218571
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-1-(1-phenylethyl)pyridin-4-one
SMILESCC1CCCCN1Cc1cc(=O)c(O)cn1C(C)c1ccccc1
InChIInChI=1S/C20H26N2O2/c1-15-8-6-7-11-21(15)13-18-12-19(23)20(24)14-22(18)16(2)17-9-4-3-5-10-17/h3-5,9-10,12,14-16,24H,6-8,11,13H2,1-2H3
InChIKeyGRGMZFSLWOWBRP-UHFFFAOYSA-N
XLogP3.54
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]propanoic acid
CID 82218083
1-cyclohexyl-5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one
CID 82218445
5-hydroxy-1-[(4-methylphenyl)methyl]-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one
CID 82218512
2-[2-(azepan-1-ylmethyl)-5-hydroxy-4-oxo-1-pyridinyl]propanoic acid
CID 82218070
3-(2-methylpyrrolidin-1-yl)-2-phenylpropan-1-ol
CID 53416012
6-[(2-methylpiperidin-1-yl)methyl]naphthalene-2,3-diol;bis(2-methylpropanoic acid);hydrochloride
CID 20541860
1-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]ethanol
CID 82165998
3-amino-2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide
CID 119844935
1,3-dimethyl-6-[(2-methylpiperidin-1-yl)methyl]pyrimidine-2,4-dione
CID 42890000
(3R)-3-methyl-1-[(1R)-1-phenylethyl]azepan-2-one
CID 14813890
2-methyl-1-[(1S)-1-phenylethyl]pyrrolidine
CID 141078428
(2R)-2-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119845332

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-1-(1-phenylethyl)pyridin-4-one?
The IUPAC name of 5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-1-(1-phenylethyl)pyridin-4-one (CID 82218571) is 5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-1-(1-phenylethyl)pyridin-4-one.
What is the SMILES notation for 5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-1-(1-phenylethyl)pyridin-4-one?
The canonical SMILES for 5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-1-(1-phenylethyl)pyridin-4-one is CC1CCCCN1Cc1cc(=O)c(O)cn1C(C)c1ccccc1.
What is the InChIKey of 5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-1-(1-phenylethyl)pyridin-4-one?
The InChIKey is GRGMZFSLWOWBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15-8-6-7-11-21(15)13-18-12-19(23)20(24)14-22(18)16(2)17-9-4-3-5-10-17/h3-5,9-10,12,14-16,24H,6-8,11,13H2,1-2H3.
What are the key properties of 5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-1-(1-phenylethyl)pyridin-4-one?
5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-1-(1-phenylethyl)pyridin-4-one has a molecular weight of 326.44 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-1-(1-phenylethyl)pyridin-4-one is sourced from PubChem (CID 82218571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).