4-(6-bromohexyl)piperidine;hydrobromide

C11H23Br2N — CID 70085272

IUPAC4-(6-bromohexyl)piperidine;hydrobromide
SMILESBr.BrCCCCCCC1CCNCC1
InChIInChI=1S/C11H22BrN.BrH/c12-8-4-2-1-3-5-11-6-9-13-10-7-11;/h11,13H,1-10H2;1H
InChIKeyAVEPGQOMBAZOFN-UHFFFAOYSA-N
MW329.12 g/mol
LogP3.91
Rot. Bonds6

About 4-(6-bromohexyl)piperidine;hydrobromide

4-(6-bromohexyl)piperidine;hydrobromide (PubChem CID 70085272) has the molecular formula C11H23Br2N and a molecular weight of 329.12 g/mol. Its IUPAC name is 4-(6-bromohexyl)piperidine;hydrobromide.

Molecular Properties

Compound Name4-(6-bromohexyl)piperidine;hydrobromide
PubChem CID70085272
Molecular FormulaC11H23Br2N
Molecular Weight329.12 g/mol
Exact Mass327.02
IUPAC Name4-(6-bromohexyl)piperidine;hydrobromide
SMILESBr.BrCCCCCCC1CCNCC1
InChIInChI=1S/C11H22BrN.BrH/c12-8-4-2-1-3-5-11-6-9-13-10-7-11;/h11,13H,1-10H2;1H
InChIKeyAVEPGQOMBAZOFN-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.12
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(6-bromohexyl)piperidine;hydrobromide 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 4-(6-bromohexyl)piperidine;hydrobromide?
The IUPAC name of 4-(6-bromohexyl)piperidine;hydrobromide (CID 70085272) is 4-(6-bromohexyl)piperidine;hydrobromide.
What is the SMILES notation for 4-(6-bromohexyl)piperidine;hydrobromide?
The canonical SMILES for 4-(6-bromohexyl)piperidine;hydrobromide is Br.BrCCCCCCC1CCNCC1.
What is the InChIKey of 4-(6-bromohexyl)piperidine;hydrobromide?
The InChIKey is AVEPGQOMBAZOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrN.BrH/c12-8-4-2-1-3-5-11-6-9-13-10-7-11;/h11,13H,1-10H2;1H.
What are the key properties of 4-(6-bromohexyl)piperidine;hydrobromide?
4-(6-bromohexyl)piperidine;hydrobromide has a molecular weight of 329.12 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromohexyl)piperidine;hydrobromide is sourced from PubChem (CID 70085272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).