N-(piperidin-1-ium-1-ylidenemethyl)-1-piperidin-1-ylmethanimine

C12H22N3+ — CID 11129289

IUPACN-(piperidin-1-ium-1-ylidenemethyl)-1-piperidin-1-ylmethanimine
SMILESC(/N=C/N1CCCCC1)=[N+]1CCCCC1
InChIInChI=1S/C12H22N3/c1-3-7-14(8-4-1)11-13-12-15-9-5-2-6-10-15/h11-12H,1-10H2/q+1
InChIKeyVMJOBBQJBINRFE-UHFFFAOYSA-N
MW208.33 g/mol
LogP1.73
Rot. Bonds2

About N-(piperidin-1-ium-1-ylidenemethyl)-1-piperidin-1-ylmethanimine

N-(piperidin-1-ium-1-ylidenemethyl)-1-piperidin-1-ylmethanimine (PubChem CID 11129289) has the molecular formula C12H22N3+ and a molecular weight of 208.33 g/mol. Its IUPAC name is N-(piperidin-1-ium-1-ylidenemethyl)-1-piperidin-1-ylmethanimine.

Molecular Properties

Compound NameN-(piperidin-1-ium-1-ylidenemethyl)-1-piperidin-1-ylmethanimine
PubChem CID11129289
Molecular FormulaC12H22N3+
Molecular Weight208.33 g/mol
Exact Mass208.18
IUPAC NameN-(piperidin-1-ium-1-ylidenemethyl)-1-piperidin-1-ylmethanimine
SMILESC(/N=C/N1CCCCC1)=[N+]1CCCCC1
InChIInChI=1S/C12H22N3/c1-3-7-14(8-4-1)11-13-12-15-9-5-2-6-10-15/h11-12H,1-10H2/q+1
InChIKeyVMJOBBQJBINRFE-UHFFFAOYSA-N
XLogP1.73
TPSA18.61 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-(piperidin-1-ium-1-ylidenemethyl)-1-piperidin-1-ylmethanimine 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 N-(piperidin-1-ium-1-ylidenemethyl)-1-piperidin-1-ylmethanimine?
The IUPAC name of N-(piperidin-1-ium-1-ylidenemethyl)-1-piperidin-1-ylmethanimine (CID 11129289) is N-(piperidin-1-ium-1-ylidenemethyl)-1-piperidin-1-ylmethanimine.
What is the SMILES notation for N-(piperidin-1-ium-1-ylidenemethyl)-1-piperidin-1-ylmethanimine?
The canonical SMILES for N-(piperidin-1-ium-1-ylidenemethyl)-1-piperidin-1-ylmethanimine is C(/N=C/N1CCCCC1)=[N+]1CCCCC1.
What is the InChIKey of N-(piperidin-1-ium-1-ylidenemethyl)-1-piperidin-1-ylmethanimine?
The InChIKey is VMJOBBQJBINRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N3/c1-3-7-14(8-4-1)11-13-12-15-9-5-2-6-10-15/h11-12H,1-10H2/q+1.
What are the key properties of N-(piperidin-1-ium-1-ylidenemethyl)-1-piperidin-1-ylmethanimine?
N-(piperidin-1-ium-1-ylidenemethyl)-1-piperidin-1-ylmethanimine has a molecular weight of 208.33 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-1-ium-1-ylidenemethyl)-1-piperidin-1-ylmethanimine is sourced from PubChem (CID 11129289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).