2-(3-piperidin-1-ylpropyl)-1H-pyridine-2,6-diamine

C13H24N4 — CID 142756391

IUPAC2-(3-piperidin-1-ylpropyl)-1H-pyridine-2,6-diamine
SMILESNC1=CC=CC(N)(CCCN2CCCCC2)N1
InChIInChI=1S/C13H24N4/c14-12-6-4-7-13(15,16-12)8-5-11-17-9-2-1-3-10-17/h4,6-7,16H,1-3,5,8-11,14-15H2
InChIKeyGPWUACRQYIBVEB-UHFFFAOYSA-N
MW236.36 g/mol
LogP0.87
Rot. Bonds4

About 2-(3-piperidin-1-ylpropyl)-1H-pyridine-2,6-diamine

2-(3-piperidin-1-ylpropyl)-1H-pyridine-2,6-diamine (PubChem CID 142756391) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(3-piperidin-1-ylpropyl)-1H-pyridine-2,6-diamine.

Molecular Properties

Compound Name2-(3-piperidin-1-ylpropyl)-1H-pyridine-2,6-diamine
PubChem CID142756391
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-(3-piperidin-1-ylpropyl)-1H-pyridine-2,6-diamine
SMILESNC1=CC=CC(N)(CCCN2CCCCC2)N1
InChIInChI=1S/C13H24N4/c14-12-6-4-7-13(15,16-12)8-5-11-17-9-2-1-3-10-17/h4,6-7,16H,1-3,5,8-11,14-15H2
InChIKeyGPWUACRQYIBVEB-UHFFFAOYSA-N
XLogP0.87
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-1-ylpropyl)-1H-pyridine-2,6-diamine?
The IUPAC name of 2-(3-piperidin-1-ylpropyl)-1H-pyridine-2,6-diamine (CID 142756391) is 2-(3-piperidin-1-ylpropyl)-1H-pyridine-2,6-diamine.
What is the SMILES notation for 2-(3-piperidin-1-ylpropyl)-1H-pyridine-2,6-diamine?
The canonical SMILES for 2-(3-piperidin-1-ylpropyl)-1H-pyridine-2,6-diamine is NC1=CC=CC(N)(CCCN2CCCCC2)N1.
What is the InChIKey of 2-(3-piperidin-1-ylpropyl)-1H-pyridine-2,6-diamine?
The InChIKey is GPWUACRQYIBVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c14-12-6-4-7-13(15,16-12)8-5-11-17-9-2-1-3-10-17/h4,6-7,16H,1-3,5,8-11,14-15H2.
What are the key properties of 2-(3-piperidin-1-ylpropyl)-1H-pyridine-2,6-diamine?
2-(3-piperidin-1-ylpropyl)-1H-pyridine-2,6-diamine has a molecular weight of 236.36 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-1-ylpropyl)-1H-pyridine-2,6-diamine is sourced from PubChem (CID 142756391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).