3-hydroxy-2-methyl-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrobromide

C13H22Br2N2O2 — CID 10430953

IUPAC3-hydroxy-2-methyl-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrobromide
SMILESBr.Br.Cc1c(O)c(=O)ccn1CCN1CCCCC1
InChIInChI=1S/C13H20N2O2.2BrH/c1-11-13(17)12(16)5-8-15(11)10-9-14-6-3-2-4-7-14;;/h5,8,17H,2-4,6-7,9-10H2,1H3;2*1H
InChIKeyMIDYHDALLFSSPD-UHFFFAOYSA-N
MW398.14 g/mol
LogP2.50
Rot. Bonds3

About 3-hydroxy-2-methyl-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrobromide

3-hydroxy-2-methyl-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrobromide (PubChem CID 10430953) has the molecular formula C13H22Br2N2O2 and a molecular weight of 398.14 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrobromide.

Molecular Properties

Compound Name3-hydroxy-2-methyl-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrobromide
PubChem CID10430953
Molecular FormulaC13H22Br2N2O2
Molecular Weight398.14 g/mol
Exact Mass396.00
IUPAC Name3-hydroxy-2-methyl-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrobromide
SMILESBr.Br.Cc1c(O)c(=O)ccn1CCN1CCCCC1
InChIInChI=1S/C13H20N2O2.2BrH/c1-11-13(17)12(16)5-8-15(11)10-9-14-6-3-2-4-7-14;;/h5,8,17H,2-4,6-7,9-10H2,1H3;2*1H
InChIKeyMIDYHDALLFSSPD-UHFFFAOYSA-N
XLogP2.50
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.14
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrobromide?
The IUPAC name of 3-hydroxy-2-methyl-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrobromide (CID 10430953) is 3-hydroxy-2-methyl-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrobromide.
What is the SMILES notation for 3-hydroxy-2-methyl-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrobromide?
The canonical SMILES for 3-hydroxy-2-methyl-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrobromide is Br.Br.Cc1c(O)c(=O)ccn1CCN1CCCCC1.
What is the InChIKey of 3-hydroxy-2-methyl-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrobromide?
The InChIKey is MIDYHDALLFSSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.2BrH/c1-11-13(17)12(16)5-8-15(11)10-9-14-6-3-2-4-7-14;;/h5,8,17H,2-4,6-7,9-10H2,1H3;2*1H.
What are the key properties of 3-hydroxy-2-methyl-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrobromide?
3-hydroxy-2-methyl-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrobromide has a molecular weight of 398.14 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrobromide is sourced from PubChem (CID 10430953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).