[2-(dimethylamino)-4-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone

C13H19N3O2 — CID 43476814

IUPAC[2-(dimethylamino)-4-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESCN(C)c1cc(C(=O)N2CCC(O)CC2)ccn1
InChIInChI=1S/C13H19N3O2/c1-15(2)12-9-10(3-6-14-12)13(18)16-7-4-11(17)5-8-16/h3,6,9,11,17H,4-5,7-8H2,1-2H3
InChIKeyNQTLSHXBAHPQJY-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.74
Rot. Bonds2

About [2-(dimethylamino)-4-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone

[2-(dimethylamino)-4-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 43476814) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is [2-(dimethylamino)-4-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(dimethylamino)-4-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID43476814
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name[2-(dimethylamino)-4-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESCN(C)c1cc(C(=O)N2CCC(O)CC2)ccn1
InChIInChI=1S/C13H19N3O2/c1-15(2)12-9-10(3-6-14-12)13(18)16-7-4-11(17)5-8-16/h3,6,9,11,17H,4-5,7-8H2,1-2H3
InChIKeyNQTLSHXBAHPQJY-UHFFFAOYSA-N
XLogP0.74
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(dimethylamino)-4-pyridinyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79031539
[2-(dimethylamino)-4-pyridinyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63764357
[2-(dimethylamino)-4-pyridinyl]-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 51097128
(2-bromo-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 103752322
1-[2-(dimethylamino)pyridine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79364373
[(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-[2-(dimethylamino)-4-pyridinyl]methanone
CID 97060768
[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 129352513
1-[2-(dimethylamino)pyridine-4-carbonyl]-4-methylpiperidine-2-carboxylic acid
CID 114421473
[3-[6-(dimethylamino)pyrimidin-4-yl]phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 119063208
(2S,4S)-1-[2-(dimethylamino)pyridine-4-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714936
[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-(4-methylphenyl)piperidin-1-yl]methanone
CID 125474294
[3-amino-4-(dimethylamino)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 61092413

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-4-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [2-(dimethylamino)-4-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone (CID 43476814) is [2-(dimethylamino)-4-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [2-(dimethylamino)-4-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [2-(dimethylamino)-4-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone is CN(C)c1cc(C(=O)N2CCC(O)CC2)ccn1.
What is the InChIKey of [2-(dimethylamino)-4-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is NQTLSHXBAHPQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15(2)12-9-10(3-6-14-12)13(18)16-7-4-11(17)5-8-16/h3,6,9,11,17H,4-5,7-8H2,1-2H3.
What are the key properties of [2-(dimethylamino)-4-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone?
[2-(dimethylamino)-4-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 249.31 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-4-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 43476814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).