4-N-(2-piperidin-1-ylpropyl)pyridine-2,4-diamine

C13H22N4 — CID 113367725

IUPAC4-N-(2-piperidin-1-ylpropyl)pyridine-2,4-diamine
SMILESCC(CNc1ccnc(N)c1)N1CCCCC1
InChIInChI=1S/C13H22N4/c1-11(17-7-3-2-4-8-17)10-16-12-5-6-15-13(14)9-12/h5-6,9,11H,2-4,7-8,10H2,1H3,(H3,14,15,16)
InChIKeyLVCOLZQVEMXGRN-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.95
Rot. Bonds4

About 4-N-(2-piperidin-1-ylpropyl)pyridine-2,4-diamine

4-N-(2-piperidin-1-ylpropyl)pyridine-2,4-diamine (PubChem CID 113367725) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-N-(2-piperidin-1-ylpropyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-piperidin-1-ylpropyl)pyridine-2,4-diamine
PubChem CID113367725
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-N-(2-piperidin-1-ylpropyl)pyridine-2,4-diamine
SMILESCC(CNc1ccnc(N)c1)N1CCCCC1
InChIInChI=1S/C13H22N4/c1-11(17-7-3-2-4-8-17)10-16-12-5-6-15-13(14)9-12/h5-6,9,11H,2-4,7-8,10H2,1H3,(H3,14,15,16)
InChIKeyLVCOLZQVEMXGRN-UHFFFAOYSA-N
XLogP1.95
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-piperidin-1-ylpropyl)pyridine-2,4-diamine?
The IUPAC name of 4-N-(2-piperidin-1-ylpropyl)pyridine-2,4-diamine (CID 113367725) is 4-N-(2-piperidin-1-ylpropyl)pyridine-2,4-diamine.
What is the SMILES notation for 4-N-(2-piperidin-1-ylpropyl)pyridine-2,4-diamine?
The canonical SMILES for 4-N-(2-piperidin-1-ylpropyl)pyridine-2,4-diamine is CC(CNc1ccnc(N)c1)N1CCCCC1.
What is the InChIKey of 4-N-(2-piperidin-1-ylpropyl)pyridine-2,4-diamine?
The InChIKey is LVCOLZQVEMXGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-11(17-7-3-2-4-8-17)10-16-12-5-6-15-13(14)9-12/h5-6,9,11H,2-4,7-8,10H2,1H3,(H3,14,15,16).
What are the key properties of 4-N-(2-piperidin-1-ylpropyl)pyridine-2,4-diamine?
4-N-(2-piperidin-1-ylpropyl)pyridine-2,4-diamine has a molecular weight of 234.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-piperidin-1-ylpropyl)pyridine-2,4-diamine is sourced from PubChem (CID 113367725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).