3-butan-2-yl-6-(1-ethylpiperidin-4-yl)-2-methoxypyridine

C17H28N2O — CID 176679232

IUPAC3-butan-2-yl-6-(1-ethylpiperidin-4-yl)-2-methoxypyridine
SMILESCCC(C)c1ccc(C2CCN(CC)CC2)nc1OC
InChIInChI=1S/C17H28N2O/c1-5-13(3)15-7-8-16(18-17(15)20-4)14-9-11-19(6-2)12-10-14/h7-8,13-14H,5-6,9-12H2,1-4H3
InChIKeyXMUJYBHAYXUAPK-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.80
Rot. Bonds5

About 3-butan-2-yl-6-(1-ethylpiperidin-4-yl)-2-methoxypyridine

3-butan-2-yl-6-(1-ethylpiperidin-4-yl)-2-methoxypyridine (PubChem CID 176679232) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-butan-2-yl-6-(1-ethylpiperidin-4-yl)-2-methoxypyridine.

Molecular Properties

Compound Name3-butan-2-yl-6-(1-ethylpiperidin-4-yl)-2-methoxypyridine
PubChem CID176679232
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-butan-2-yl-6-(1-ethylpiperidin-4-yl)-2-methoxypyridine
SMILESCCC(C)c1ccc(C2CCN(CC)CC2)nc1OC
InChIInChI=1S/C17H28N2O/c1-5-13(3)15-7-8-16(18-17(15)20-4)14-9-11-19(6-2)12-10-14/h7-8,13-14H,5-6,9-12H2,1-4H3
InChIKeyXMUJYBHAYXUAPK-UHFFFAOYSA-N
XLogP3.80
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-ethylpyrrolidin-3-yl)-6-methoxypyridazine
CID 117105120
2-(1-ethylpiperidin-4-yl)-8-methoxyimidazo[1,2-a]pyridine
CID 117135899
6-(1-methylpiperidin-4-yl)-2-propan-2-yloxypyridin-3-amine
CID 86697998
ethane;1-ethyl-4-(4-propan-2-ylphenyl)piperidine
CID 176679187
5-[6-(1-ethylpiperidin-4-yl)-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol
CID 162433617
4-(1-benzofuran-2-yl)-1-ethylpiperidine
CID 23312291
6-(1-ethylpyrrolidin-3-yl)pyridazin-3-amine
CID 117105070
2-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]propan-1-amine
CID 115082192
1-(1-ethylpiperidin-4-yl)-2-(4-methoxyphenoxy)ethanamine
CID 117238940
2-(1-ethylpiperidin-4-yl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117160918
2-methoxy-6-(thian-4-yl)pyridin-3-amine
CID 115034695
3-(1-ethylpiperidin-4-yl)-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117140421

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-6-(1-ethylpiperidin-4-yl)-2-methoxypyridine?
The IUPAC name of 3-butan-2-yl-6-(1-ethylpiperidin-4-yl)-2-methoxypyridine (CID 176679232) is 3-butan-2-yl-6-(1-ethylpiperidin-4-yl)-2-methoxypyridine.
What is the SMILES notation for 3-butan-2-yl-6-(1-ethylpiperidin-4-yl)-2-methoxypyridine?
The canonical SMILES for 3-butan-2-yl-6-(1-ethylpiperidin-4-yl)-2-methoxypyridine is CCC(C)c1ccc(C2CCN(CC)CC2)nc1OC.
What is the InChIKey of 3-butan-2-yl-6-(1-ethylpiperidin-4-yl)-2-methoxypyridine?
The InChIKey is XMUJYBHAYXUAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-13(3)15-7-8-16(18-17(15)20-4)14-9-11-19(6-2)12-10-14/h7-8,13-14H,5-6,9-12H2,1-4H3.
What are the key properties of 3-butan-2-yl-6-(1-ethylpiperidin-4-yl)-2-methoxypyridine?
3-butan-2-yl-6-(1-ethylpiperidin-4-yl)-2-methoxypyridine has a molecular weight of 276.42 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-6-(1-ethylpiperidin-4-yl)-2-methoxypyridine is sourced from PubChem (CID 176679232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).