(4-amino-3-ethylpiperidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone

C13H19N3O2 — CID 81458088

IUPAC(4-amino-3-ethylpiperidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone
SMILESCCC1CN(C(=O)c2ccncc2O)CCC1N
InChIInChI=1S/C13H19N3O2/c1-2-9-8-16(6-4-11(9)14)13(18)10-3-5-15-7-12(10)17/h3,5,7,9,11,17H,2,4,6,8,14H2,1H3
InChIKeyLVAXANLLAXZIBF-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.99
Rot. Bonds2

About (4-amino-3-ethylpiperidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone

(4-amino-3-ethylpiperidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone (PubChem CID 81458088) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (4-amino-3-ethylpiperidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name(4-amino-3-ethylpiperidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone
PubChem CID81458088
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(4-amino-3-ethylpiperidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone
SMILESCCC1CN(C(=O)c2ccncc2O)CCC1N
InChIInChI=1S/C13H19N3O2/c1-2-9-8-16(6-4-11(9)14)13(18)10-3-5-15-7-12(10)17/h3,5,7,9,11,17H,2,4,6,8,14H2,1H3
InChIKeyLVAXANLLAXZIBF-UHFFFAOYSA-N
XLogP0.99
TPSA79.45 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 ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-ethyl-4-(methylamino)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 114506541
(3-hydroxy-4-pyridinyl)-(4-propylpiperidin-1-yl)methanone
CID 80718021
(3-amino-4-methylpyrrolidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 103576007
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 114802012
[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443611
(4-ethylazepan-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 80706943
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(3-hydroxy-4-pyridinyl)methanone
CID 81442594
1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 81445360
2-[1-(3-hydroxypyridine-4-carbonyl)piperidin-4-yl]acetamide
CID 80707093
(4-amino-3-ethylpiperidin-1-yl)-(2-chlorofuran-3-yl)methanone
CID 106688582
(4-amino-3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 81457202
(4-amino-3-ethylpiperidin-1-yl)-(2-chloro-5-hydroxyphenyl)methanone
CID 106499980

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-ethylpiperidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone?
The IUPAC name of (4-amino-3-ethylpiperidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone (CID 81458088) is (4-amino-3-ethylpiperidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone.
What is the SMILES notation for (4-amino-3-ethylpiperidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone?
The canonical SMILES for (4-amino-3-ethylpiperidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone is CCC1CN(C(=O)c2ccncc2O)CCC1N.
What is the InChIKey of (4-amino-3-ethylpiperidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone?
The InChIKey is LVAXANLLAXZIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-9-8-16(6-4-11(9)14)13(18)10-3-5-15-7-12(10)17/h3,5,7,9,11,17H,2,4,6,8,14H2,1H3.
What are the key properties of (4-amino-3-ethylpiperidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone?
(4-amino-3-ethylpiperidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone has a molecular weight of 249.31 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-ethylpiperidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone is sourced from PubChem (CID 81458088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).