2-(5-methyl-1,2-dihydropyridin-3-yl)-N'-piperidin-4-ylpropane-1,3-diamine

C14H26N4 — CID 118549064

IUPAC2-(5-methyl-1,2-dihydropyridin-3-yl)-N'-piperidin-4-ylpropane-1,3-diamine
SMILESCC1=CNCC(C(CN)CNC2CCNCC2)=C1
InChIInChI=1S/C14H26N4/c1-11-6-12(9-17-8-11)13(7-15)10-18-14-2-4-16-5-3-14/h6,8,13-14,16-18H,2-5,7,9-10,15H2,1H3
InChIKeyYUFUDRXGCIPHRK-UHFFFAOYSA-N
MW250.39 g/mol
LogP0.34
Rot. Bonds5

About 2-(5-methyl-1,2-dihydropyridin-3-yl)-N'-piperidin-4-ylpropane-1,3-diamine

2-(5-methyl-1,2-dihydropyridin-3-yl)-N'-piperidin-4-ylpropane-1,3-diamine (PubChem CID 118549064) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-(5-methyl-1,2-dihydropyridin-3-yl)-N'-piperidin-4-ylpropane-1,3-diamine.

Molecular Properties

Compound Name2-(5-methyl-1,2-dihydropyridin-3-yl)-N'-piperidin-4-ylpropane-1,3-diamine
PubChem CID118549064
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name2-(5-methyl-1,2-dihydropyridin-3-yl)-N'-piperidin-4-ylpropane-1,3-diamine
SMILESCC1=CNCC(C(CN)CNC2CCNCC2)=C1
InChIInChI=1S/C14H26N4/c1-11-6-12(9-17-8-11)13(7-15)10-18-14-2-4-16-5-3-14/h6,8,13-14,16-18H,2-5,7,9-10,15H2,1H3
InChIKeyYUFUDRXGCIPHRK-UHFFFAOYSA-N
XLogP0.34
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2-dihydropyridin-3-yl)-N'-piperidin-4-ylpropane-1,3-diamine?
The IUPAC name of 2-(5-methyl-1,2-dihydropyridin-3-yl)-N'-piperidin-4-ylpropane-1,3-diamine (CID 118549064) is 2-(5-methyl-1,2-dihydropyridin-3-yl)-N'-piperidin-4-ylpropane-1,3-diamine.
What is the SMILES notation for 2-(5-methyl-1,2-dihydropyridin-3-yl)-N'-piperidin-4-ylpropane-1,3-diamine?
The canonical SMILES for 2-(5-methyl-1,2-dihydropyridin-3-yl)-N'-piperidin-4-ylpropane-1,3-diamine is CC1=CNCC(C(CN)CNC2CCNCC2)=C1.
What is the InChIKey of 2-(5-methyl-1,2-dihydropyridin-3-yl)-N'-piperidin-4-ylpropane-1,3-diamine?
The InChIKey is YUFUDRXGCIPHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-11-6-12(9-17-8-11)13(7-15)10-18-14-2-4-16-5-3-14/h6,8,13-14,16-18H,2-5,7,9-10,15H2,1H3.
What are the key properties of 2-(5-methyl-1,2-dihydropyridin-3-yl)-N'-piperidin-4-ylpropane-1,3-diamine?
2-(5-methyl-1,2-dihydropyridin-3-yl)-N'-piperidin-4-ylpropane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 0.34, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2-dihydropyridin-3-yl)-N'-piperidin-4-ylpropane-1,3-diamine is sourced from PubChem (CID 118549064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).