2-[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine

C16H26N4 — CID 80634216

IUPAC2-[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine
SMILESNCCc1ccc(N2CCC(N3CCCCC3)C2)nc1
InChIInChI=1S/C16H26N4/c17-8-6-14-4-5-16(18-12-14)20-11-7-15(13-20)19-9-2-1-3-10-19/h4-5,12,15H,1-3,6-11,13,17H2
InChIKeyGZMUKKONXJCSSJ-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.65
Rot. Bonds4

About 2-[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine

2-[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine (PubChem CID 80634216) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine
PubChem CID80634216
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name2-[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine
SMILESNCCc1ccc(N2CCC(N3CCCCC3)C2)nc1
InChIInChI=1S/C16H26N4/c17-8-6-14-4-5-16(18-12-14)20-11-7-15(13-20)19-9-2-1-3-10-19/h4-5,12,15H,1-3,6-11,13,17H2
InChIKeyGZMUKKONXJCSSJ-UHFFFAOYSA-N
XLogP1.65
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]ethanamine
CID 80635052
N-[[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 63169327
2-[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]ethanamine
CID 80634545
2-[6-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]ethanamine
CID 102968762
1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]azepane
CID 133454485
2-[6-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]ethanamine
CID 80634567
2-[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]ethanamine
CID 80633426
N-[[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-3-pyridinyl]methyl]propan-2-amine
CID 63151739
2-(6-morpholin-4-yl-3-pyridinyl)ethanamine
CID 58882085
2-(5-chloro-2-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79035612
2-[6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-methyl-3-pyridinyl]ethanamine
CID 80634396
2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]ethanamine
CID 80632973

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine?
The IUPAC name of 2-[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine (CID 80634216) is 2-[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine is NCCc1ccc(N2CCC(N3CCCCC3)C2)nc1.
What is the InChIKey of 2-[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine?
The InChIKey is GZMUKKONXJCSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c17-8-6-14-4-5-16(18-12-14)20-11-7-15(13-20)19-9-2-1-3-10-19/h4-5,12,15H,1-3,6-11,13,17H2.
What are the key properties of 2-[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine?
2-[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine has a molecular weight of 274.41 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 80634216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).