4-methylidene-2-(piperidin-4-ylmethylidene)piperidine;hydrobromide

C12H21BrN2 — CID 118387178

IUPAC4-methylidene-2-(piperidin-4-ylmethylidene)piperidine;hydrobromide
SMILESBr.C=C1CCNC(=CC2CCNCC2)C1
InChIInChI=1S/C12H20N2.BrH/c1-10-2-7-14-12(8-10)9-11-3-5-13-6-4-11;/h9,11,13-14H,1-8H2;1H
InChIKeyRAQAGQCNZPKNDG-UHFFFAOYSA-N
MW273.22 g/mol
LogP2.39
Rot. Bonds1

About 4-methylidene-2-(piperidin-4-ylmethylidene)piperidine;hydrobromide

4-methylidene-2-(piperidin-4-ylmethylidene)piperidine;hydrobromide (PubChem CID 118387178) has the molecular formula C12H21BrN2 and a molecular weight of 273.22 g/mol. Its IUPAC name is 4-methylidene-2-(piperidin-4-ylmethylidene)piperidine;hydrobromide.

Molecular Properties

Compound Name4-methylidene-2-(piperidin-4-ylmethylidene)piperidine;hydrobromide
PubChem CID118387178
Molecular FormulaC12H21BrN2
Molecular Weight273.22 g/mol
Exact Mass272.09
IUPAC Name4-methylidene-2-(piperidin-4-ylmethylidene)piperidine;hydrobromide
SMILESBr.C=C1CCNC(=CC2CCNCC2)C1
InChIInChI=1S/C12H20N2.BrH/c1-10-2-7-14-12(8-10)9-11-3-5-13-6-4-11;/h9,11,13-14H,1-8H2;1H
InChIKeyRAQAGQCNZPKNDG-UHFFFAOYSA-N
XLogP2.39
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-2-(piperidin-4-ylmethylidene)piperidine;hydrobromide?
The IUPAC name of 4-methylidene-2-(piperidin-4-ylmethylidene)piperidine;hydrobromide (CID 118387178) is 4-methylidene-2-(piperidin-4-ylmethylidene)piperidine;hydrobromide.
What is the SMILES notation for 4-methylidene-2-(piperidin-4-ylmethylidene)piperidine;hydrobromide?
The canonical SMILES for 4-methylidene-2-(piperidin-4-ylmethylidene)piperidine;hydrobromide is Br.C=C1CCNC(=CC2CCNCC2)C1.
What is the InChIKey of 4-methylidene-2-(piperidin-4-ylmethylidene)piperidine;hydrobromide?
The InChIKey is RAQAGQCNZPKNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2.BrH/c1-10-2-7-14-12(8-10)9-11-3-5-13-6-4-11;/h9,11,13-14H,1-8H2;1H.
What are the key properties of 4-methylidene-2-(piperidin-4-ylmethylidene)piperidine;hydrobromide?
4-methylidene-2-(piperidin-4-ylmethylidene)piperidine;hydrobromide has a molecular weight of 273.22 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-2-(piperidin-4-ylmethylidene)piperidine;hydrobromide is sourced from PubChem (CID 118387178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).