(4-hydroxy-3-methylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone

C13H19N3O2 — CID 114681646

IUPAC(4-hydroxy-3-methylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone
SMILESCNc1ccnc(C(=O)N2CCC(O)C(C)C2)c1
InChIInChI=1S/C13H19N3O2/c1-9-8-16(6-4-12(9)17)13(18)11-7-10(14-2)3-5-15-11/h3,5,7,9,12,17H,4,6,8H2,1-2H3,(H,14,15)
InChIKeyYTUDUMJDAJINAE-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.97
Rot. Bonds2

About (4-hydroxy-3-methylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone

(4-hydroxy-3-methylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone (PubChem CID 114681646) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (4-hydroxy-3-methylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-hydroxy-3-methylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone
PubChem CID114681646
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(4-hydroxy-3-methylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone
SMILESCNc1ccnc(C(=O)N2CCC(O)C(C)C2)c1
InChIInChI=1S/C13H19N3O2/c1-9-8-16(6-4-12(9)17)13(18)11-7-10(14-2)3-5-15-11/h3,5,7,9,12,17H,4,6,8H2,1-2H3,(H,14,15)
InChIKeyYTUDUMJDAJINAE-UHFFFAOYSA-N
XLogP0.97
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(methylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 62171607
[3-(diethylamino)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
CID 63175115
[4-(hydroxymethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
CID 55042246
[4-(1-hydroxyethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
CID 106837578
(4,4-dimethylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone
CID 62930528
(2-fluoro-4-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678232
1,3-dihydroisoindol-2-yl-[4-(methylamino)-2-pyridinyl]methanone
CID 55049769
(4-tert-butylpiperidin-1-yl)-(4-hydrazinyl-2-pyridinyl)methanone
CID 62237509
(4-hydroxy-3-methylpiperidin-1-yl)-[5-(propylamino)-2-pyridinyl]methanone
CID 114681667
(2,2-dimethylmorpholin-4-yl)-[4-(methylamino)-2-pyridinyl]methanone
CID 62170441
(3-methylpiperidin-1-yl)-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
CID 109218161
[4-(dimethylamino)piperidin-1-yl]-(4-hydrazinyl-2-pyridinyl)methanone
CID 62243583

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-methylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone?
The IUPAC name of (4-hydroxy-3-methylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone (CID 114681646) is (4-hydroxy-3-methylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone.
What is the SMILES notation for (4-hydroxy-3-methylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone?
The canonical SMILES for (4-hydroxy-3-methylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone is CNc1ccnc(C(=O)N2CCC(O)C(C)C2)c1.
What is the InChIKey of (4-hydroxy-3-methylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone?
The InChIKey is YTUDUMJDAJINAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-8-16(6-4-12(9)17)13(18)11-7-10(14-2)3-5-15-11/h3,5,7,9,12,17H,4,6,8H2,1-2H3,(H,14,15).
What are the key properties of (4-hydroxy-3-methylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone?
(4-hydroxy-3-methylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone has a molecular weight of 249.31 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-methylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 114681646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).