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

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WZ 811
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2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
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1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine
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(-)-Mirtazapine
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CID 11000026

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).