1-(piperidin-1-ium-1-ylidenemethyl)piperidine

C11H21N2+ — CID 10890863

IUPAC1-(piperidin-1-ium-1-ylidenemethyl)piperidine
SMILESC(N1CCCCC1)=[N+]1CCCCC1
InChIInChI=1S/C11H21N2/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h11H,1-10H2/q+1
InChIKeyKMJMHCBZOYDSQN-UHFFFAOYSA-N
MW181.30 g/mol
LogP1.70
Rot. Bonds1

About 1-(piperidin-1-ium-1-ylidenemethyl)piperidine

1-(piperidin-1-ium-1-ylidenemethyl)piperidine (PubChem CID 10890863) has the molecular formula C11H21N2+ and a molecular weight of 181.30 g/mol. Its IUPAC name is 1-(piperidin-1-ium-1-ylidenemethyl)piperidine.

Molecular Properties

Compound Name1-(piperidin-1-ium-1-ylidenemethyl)piperidine
PubChem CID10890863
Molecular FormulaC11H21N2+
Molecular Weight181.30 g/mol
Exact Mass181.17
IUPAC Name1-(piperidin-1-ium-1-ylidenemethyl)piperidine
SMILESC(N1CCCCC1)=[N+]1CCCCC1
InChIInChI=1S/C11H21N2/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h11H,1-10H2/q+1
InChIKeyKMJMHCBZOYDSQN-UHFFFAOYSA-N
XLogP1.70
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-1-ium-1-ylidenemethyl)piperidine?
The IUPAC name of 1-(piperidin-1-ium-1-ylidenemethyl)piperidine (CID 10890863) is 1-(piperidin-1-ium-1-ylidenemethyl)piperidine.
What is the SMILES notation for 1-(piperidin-1-ium-1-ylidenemethyl)piperidine?
The canonical SMILES for 1-(piperidin-1-ium-1-ylidenemethyl)piperidine is C(N1CCCCC1)=[N+]1CCCCC1.
What is the InChIKey of 1-(piperidin-1-ium-1-ylidenemethyl)piperidine?
The InChIKey is KMJMHCBZOYDSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N2/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h11H,1-10H2/q+1.
What are the key properties of 1-(piperidin-1-ium-1-ylidenemethyl)piperidine?
1-(piperidin-1-ium-1-ylidenemethyl)piperidine has a molecular weight of 181.30 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-1-ium-1-ylidenemethyl)piperidine is sourced from PubChem (CID 10890863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).