1-(6-piperidin-1-ylhexyl)piperidine;hydrobromide

C16H33BrN2 — CID 23723171

IUPAC1-(6-piperidin-1-ylhexyl)piperidine;hydrobromide
SMILESBr.C(CCCN1CCCCC1)CCN1CCCCC1
InChIInChI=1S/C16H32N2.BrH/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18;/h1-16H2;1H
InChIKeyMHZYQDRHIMMLSS-UHFFFAOYSA-N
MW333.36 g/mol
LogP4.10
Rot. Bonds7

About 1-(6-piperidin-1-ylhexyl)piperidine;hydrobromide

1-(6-piperidin-1-ylhexyl)piperidine;hydrobromide (PubChem CID 23723171) has the molecular formula C16H33BrN2 and a molecular weight of 333.36 g/mol. Its IUPAC name is 1-(6-piperidin-1-ylhexyl)piperidine;hydrobromide.

Molecular Properties

Compound Name1-(6-piperidin-1-ylhexyl)piperidine;hydrobromide
PubChem CID23723171
Molecular FormulaC16H33BrN2
Molecular Weight333.36 g/mol
Exact Mass332.18
IUPAC Name1-(6-piperidin-1-ylhexyl)piperidine;hydrobromide
SMILESBr.C(CCCN1CCCCC1)CCN1CCCCC1
InChIInChI=1S/C16H32N2.BrH/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18;/h1-16H2;1H
InChIKeyMHZYQDRHIMMLSS-UHFFFAOYSA-N
XLogP4.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(6-piperidin-1-ylhexyl)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 1-(6-piperidin-1-ylhexyl)piperidine;hydrobromide?
The IUPAC name of 1-(6-piperidin-1-ylhexyl)piperidine;hydrobromide (CID 23723171) is 1-(6-piperidin-1-ylhexyl)piperidine;hydrobromide.
What is the SMILES notation for 1-(6-piperidin-1-ylhexyl)piperidine;hydrobromide?
The canonical SMILES for 1-(6-piperidin-1-ylhexyl)piperidine;hydrobromide is Br.C(CCCN1CCCCC1)CCN1CCCCC1.
What is the InChIKey of 1-(6-piperidin-1-ylhexyl)piperidine;hydrobromide?
The InChIKey is MHZYQDRHIMMLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2.BrH/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18;/h1-16H2;1H.
What are the key properties of 1-(6-piperidin-1-ylhexyl)piperidine;hydrobromide?
1-(6-piperidin-1-ylhexyl)piperidine;hydrobromide has a molecular weight of 333.36 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-piperidin-1-ylhexyl)piperidine;hydrobromide is sourced from PubChem (CID 23723171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).