(4-hydroxypiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone

C18H20N2O2 — CID 171352332

IUPAC(4-hydroxypiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone
SMILESCc1ccc(-c2ccncc2)c(C(=O)N2CCC(O)CC2)c1
InChIInChI=1S/C18H20N2O2/c1-13-2-3-16(14-4-8-19-9-5-14)17(12-13)18(22)20-10-6-15(21)7-11-20/h2-5,8-9,12,15,21H,6-7,10-11H2,1H3
InChIKeyNVQOOURGCFKWOU-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.65
Rot. Bonds2

About (4-hydroxypiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone

(4-hydroxypiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone (PubChem CID 171352332) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone
PubChem CID171352332
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(4-hydroxypiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone
SMILESCc1ccc(-c2ccncc2)c(C(=O)N2CCC(O)CC2)c1
InChIInChI=1S/C18H20N2O2/c1-13-2-3-16(14-4-8-19-9-5-14)17(12-13)18(22)20-10-6-15(21)7-11-20/h2-5,8-9,12,15,21H,6-7,10-11H2,1H3
InChIKeyNVQOOURGCFKWOU-UHFFFAOYSA-N
XLogP2.65
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone (CID 171352332) is (4-hydroxypiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone is Cc1ccc(-c2ccncc2)c(C(=O)N2CCC(O)CC2)c1.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone?
The InChIKey is NVQOOURGCFKWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-2-3-16(14-4-8-19-9-5-14)17(12-13)18(22)20-10-6-15(21)7-11-20/h2-5,8-9,12,15,21H,6-7,10-11H2,1H3.
What are the key properties of (4-hydroxypiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone?
(4-hydroxypiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone has a molecular weight of 296.37 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone is sourced from PubChem (CID 171352332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).