5-hydroxy-1-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-one

C19H24N2O2 — CID 94960224

IUPAC5-hydroxy-1-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-one
SMILESCc1ccc(Cn2cc(O)c(=O)cc2CN2CCCCC2)cc1
InChIInChI=1S/C19H24N2O2/c1-15-5-7-16(8-6-15)12-21-14-19(23)18(22)11-17(21)13-20-9-3-2-4-10-20/h5-8,11,14,23H,2-4,9-10,12-13H2,1H3
InChIKeyIFUIJDUNALKDLE-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.90
Rot. Bonds4

About 5-hydroxy-1-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-one

5-hydroxy-1-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-one (PubChem CID 94960224) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 5-hydroxy-1-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name5-hydroxy-1-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-one
PubChem CID94960224
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name5-hydroxy-1-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-one
SMILESCc1ccc(Cn2cc(O)c(=O)cc2CN2CCCCC2)cc1
InChIInChI=1S/C19H24N2O2/c1-15-5-7-16(8-6-15)12-21-14-19(23)18(22)11-17(21)13-20-9-3-2-4-10-20/h5-8,11,14,23H,2-4,9-10,12-13H2,1H3
InChIKeyIFUIJDUNALKDLE-UHFFFAOYSA-N
XLogP2.90
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-1-[(4-methylphenyl)methyl]-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one
CID 82218512
5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
CID 94959515
1-[2-(dimethylamino)ethyl]-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 82218906
1-[(4-methylphenyl)methyl]azepane
CID 3951815
2-[[5-hydroxy-1-[(4-methylphenyl)methyl]-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid
CID 94960221
ethane;1-[(4-methylphenyl)methyl]piperidine
CID 143603243
1-cyclooctyl-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 94960122
2-[2-(azepan-1-ylmethyl)-5-hydroxy-4-oxo-1-pyridinyl]propanoic acid
CID 82218070
5-hydroxy-1-(oxolan-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
CID 82218489
5-hydroxy-1-(2-hydroxyethyl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one
CID 82217995
5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-propylpyridin-4-one
CID 82218115
2-[4-(carboxymethyl)-7-[(4-methylphenyl)methyl]-1,4,7-triazacyclododec-1-yl]acetic acid
CID 170226705

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-one?
The IUPAC name of 5-hydroxy-1-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-one (CID 94960224) is 5-hydroxy-1-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-one.
What is the SMILES notation for 5-hydroxy-1-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-one?
The canonical SMILES for 5-hydroxy-1-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-one is Cc1ccc(Cn2cc(O)c(=O)cc2CN2CCCCC2)cc1.
What is the InChIKey of 5-hydroxy-1-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-one?
The InChIKey is IFUIJDUNALKDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-15-5-7-16(8-6-15)12-21-14-19(23)18(22)11-17(21)13-20-9-3-2-4-10-20/h5-8,11,14,23H,2-4,9-10,12-13H2,1H3.
What are the key properties of 5-hydroxy-1-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-one?
5-hydroxy-1-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-one has a molecular weight of 312.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-one is sourced from PubChem (CID 94960224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).