1-(1,2-dihydropyridin-6-ylmethyl)-4-(piperidin-2-ylmethyl)piperazine

C16H28N4 — CID 5256884

IUPAC1-(1,2-dihydropyridin-6-ylmethyl)-4-(piperidin-2-ylmethyl)piperazine
SMILESC1=CCNC(CN2CCN(CC3CCCCN3)CC2)=C1
InChIInChI=1S/C16H28N4/c1-3-7-17-15(5-1)13-19-9-11-20(12-10-19)14-16-6-2-4-8-18-16/h1,3,5,16-18H,2,4,6-14H2
InChIKeyLSUBBSNAUXMGDX-UHFFFAOYSA-N
MW276.43 g/mol
LogP0.79
Rot. Bonds4

About 1-(1,2-dihydropyridin-6-ylmethyl)-4-(piperidin-2-ylmethyl)piperazine

1-(1,2-dihydropyridin-6-ylmethyl)-4-(piperidin-2-ylmethyl)piperazine (PubChem CID 5256884) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1-(1,2-dihydropyridin-6-ylmethyl)-4-(piperidin-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(1,2-dihydropyridin-6-ylmethyl)-4-(piperidin-2-ylmethyl)piperazine
PubChem CID5256884
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name1-(1,2-dihydropyridin-6-ylmethyl)-4-(piperidin-2-ylmethyl)piperazine
SMILESC1=CCNC(CN2CCN(CC3CCCCN3)CC2)=C1
InChIInChI=1S/C16H28N4/c1-3-7-17-15(5-1)13-19-9-11-20(12-10-19)14-16-6-2-4-8-18-16/h1,3,5,16-18H,2,4,6-14H2
InChIKeyLSUBBSNAUXMGDX-UHFFFAOYSA-N
XLogP0.79
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1,2-dihydropyridin-6-ylmethyl)-4-(piperidin-2-ylmethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydropyridin-6-ylmethyl)-4-(piperidin-2-ylmethyl)piperazine?
The IUPAC name of 1-(1,2-dihydropyridin-6-ylmethyl)-4-(piperidin-2-ylmethyl)piperazine (CID 5256884) is 1-(1,2-dihydropyridin-6-ylmethyl)-4-(piperidin-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(1,2-dihydropyridin-6-ylmethyl)-4-(piperidin-2-ylmethyl)piperazine?
The canonical SMILES for 1-(1,2-dihydropyridin-6-ylmethyl)-4-(piperidin-2-ylmethyl)piperazine is C1=CCNC(CN2CCN(CC3CCCCN3)CC2)=C1.
What is the InChIKey of 1-(1,2-dihydropyridin-6-ylmethyl)-4-(piperidin-2-ylmethyl)piperazine?
The InChIKey is LSUBBSNAUXMGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-3-7-17-15(5-1)13-19-9-11-20(12-10-19)14-16-6-2-4-8-18-16/h1,3,5,16-18H,2,4,6-14H2.
What are the key properties of 1-(1,2-dihydropyridin-6-ylmethyl)-4-(piperidin-2-ylmethyl)piperazine?
1-(1,2-dihydropyridin-6-ylmethyl)-4-(piperidin-2-ylmethyl)piperazine has a molecular weight of 276.43 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydropyridin-6-ylmethyl)-4-(piperidin-2-ylmethyl)piperazine is sourced from PubChem (CID 5256884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).