1,2-di(piperidin-1-yl)guanidine

C11H23N5 — CID 57005745

IUPAC1,2-di(piperidin-1-yl)guanidine
SMILESNC(=NN1CCCCC1)NN1CCCCC1
InChIInChI=1S/C11H23N5/c12-11(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10H2,(H3,12,13,14)
InChIKeyNPBVMIKLUYDDTE-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.69
Rot. Bonds2

About 1,2-di(piperidin-1-yl)guanidine

1,2-di(piperidin-1-yl)guanidine (PubChem CID 57005745) has the molecular formula C11H23N5 and a molecular weight of 225.34 g/mol. Its IUPAC name is 1,2-di(piperidin-1-yl)guanidine.

Molecular Properties

Compound Name1,2-di(piperidin-1-yl)guanidine
PubChem CID57005745
Molecular FormulaC11H23N5
Molecular Weight225.34 g/mol
Exact Mass225.20
IUPAC Name1,2-di(piperidin-1-yl)guanidine
SMILESNC(=NN1CCCCC1)NN1CCCCC1
InChIInChI=1S/C11H23N5/c12-11(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10H2,(H3,12,13,14)
InChIKeyNPBVMIKLUYDDTE-UHFFFAOYSA-N
XLogP0.69
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-di(piperidin-1-yl)guanidine?
The IUPAC name of 1,2-di(piperidin-1-yl)guanidine (CID 57005745) is 1,2-di(piperidin-1-yl)guanidine.
What is the SMILES notation for 1,2-di(piperidin-1-yl)guanidine?
The canonical SMILES for 1,2-di(piperidin-1-yl)guanidine is NC(=NN1CCCCC1)NN1CCCCC1.
What is the InChIKey of 1,2-di(piperidin-1-yl)guanidine?
The InChIKey is NPBVMIKLUYDDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5/c12-11(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10H2,(H3,12,13,14).
What are the key properties of 1,2-di(piperidin-1-yl)guanidine?
1,2-di(piperidin-1-yl)guanidine has a molecular weight of 225.34 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(piperidin-1-yl)guanidine is sourced from PubChem (CID 57005745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).