(3-hydroxy-4-pyridinyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone

C13H19N3O2 — CID 81442707

IUPAC(3-hydroxy-4-pyridinyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)c2ccncc2O)C1
InChIInChI=1S/C13H19N3O2/c1-14-7-10-3-2-6-16(9-10)13(18)11-4-5-15-8-12(11)17/h4-5,8,10,14,17H,2-3,6-7,9H2,1H3
InChIKeyOKOMKXWOGWLYON-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.86
Rot. Bonds3

About (3-hydroxy-4-pyridinyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone

(3-hydroxy-4-pyridinyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 81442707) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3-hydroxy-4-pyridinyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-4-pyridinyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID81442707
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(3-hydroxy-4-pyridinyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)c2ccncc2O)C1
InChIInChI=1S/C13H19N3O2/c1-14-7-10-3-2-6-16(9-10)13(18)11-4-5-15-8-12(11)17/h4-5,8,10,14,17H,2-3,6-7,9H2,1H3
InChIKeyOKOMKXWOGWLYON-UHFFFAOYSA-N
XLogP0.86
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3-hydroxy-4-pyridinyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344
3-[1-(3-hydroxypyridine-4-carbonyl)piperidin-3-yl]propanoic acid
CID 81445617
(4-ethylazepan-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 80706943
(4-chloro-2-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204723
[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443611
(2-hydroxy-5-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 107732049
(2-hydroxy-4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205284
1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 81445360
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
(3,4-dihydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 107728705
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 114802012
(2-chlorofuran-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 106688448

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-pyridinyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-hydroxy-4-pyridinyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone (CID 81442707) is (3-hydroxy-4-pyridinyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-hydroxy-4-pyridinyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-hydroxy-4-pyridinyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCCN(C(=O)c2ccncc2O)C1.
What is the InChIKey of (3-hydroxy-4-pyridinyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is OKOMKXWOGWLYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-14-7-10-3-2-6-16(9-10)13(18)11-4-5-15-8-12(11)17/h4-5,8,10,14,17H,2-3,6-7,9H2,1H3.
What are the key properties of (3-hydroxy-4-pyridinyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
(3-hydroxy-4-pyridinyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 249.31 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-pyridinyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 81442707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).