1-(3-bromopropyl)-2-methylpiperidine;hydrobromide

C9H19Br2N — CID 71320292

IUPAC1-(3-bromopropyl)-2-methylpiperidine;hydrobromide
SMILESBr.CC1CCCCN1CCCBr
InChIInChI=1S/C9H18BrN.BrH/c1-9-5-2-3-7-11(9)8-4-6-10;/h9H,2-8H2,1H3;1H
InChIKeyUTJDEXFNKMEKPL-UHFFFAOYSA-N
MW301.07 g/mol
LogP3.22
Rot. Bonds3

About 1-(3-bromopropyl)-2-methylpiperidine;hydrobromide

1-(3-bromopropyl)-2-methylpiperidine;hydrobromide (PubChem CID 71320292) has the molecular formula C9H19Br2N and a molecular weight of 301.07 g/mol. Its IUPAC name is 1-(3-bromopropyl)-2-methylpiperidine;hydrobromide.

Molecular Properties

Compound Name1-(3-bromopropyl)-2-methylpiperidine;hydrobromide
PubChem CID71320292
Molecular FormulaC9H19Br2N
Molecular Weight301.07 g/mol
Exact Mass298.99
IUPAC Name1-(3-bromopropyl)-2-methylpiperidine;hydrobromide
SMILESBr.CC1CCCCN1CCCBr
InChIInChI=1S/C9H18BrN.BrH/c1-9-5-2-3-7-11(9)8-4-6-10;/h9H,2-8H2,1H3;1H
InChIKeyUTJDEXFNKMEKPL-UHFFFAOYSA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.07
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3-bromopropyl)-2-methylpiperidine;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromopropyl)-2-methylpyrrolidine;hydrobromide
CID 77189705
2-methyl-1-pentylazepane
CID 134994557
1-butyl-2-methylpyrrolidine;hydrobromide
CID 174642317
2-methyl-1-(5-methylhexyl)piperidine
CID 142939607
1-methyl-4-[3-(2-methylpiperidin-1-yl)propyl]piperazine
CID 174676433
methanidyl-[3-(2-methylpiperidin-1-yl)propyl]azanium
CID 23545715
O-[3-(2-methylpiperidin-1-yl)propyl]hydroxylamine
CID 55270241
2-bromoethanol;2-(2-methylpyrrolidin-1-yl)ethanol
CID 159765495
N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexanamine
CID 43178283
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
3-(2-methylpiperidin-1-yl)propane-1-sulfonyl chloride
CID 102548986
3-(2-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 43193223

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopropyl)-2-methylpiperidine;hydrobromide?
The IUPAC name of 1-(3-bromopropyl)-2-methylpiperidine;hydrobromide (CID 71320292) is 1-(3-bromopropyl)-2-methylpiperidine;hydrobromide.
What is the SMILES notation for 1-(3-bromopropyl)-2-methylpiperidine;hydrobromide?
The canonical SMILES for 1-(3-bromopropyl)-2-methylpiperidine;hydrobromide is Br.CC1CCCCN1CCCBr.
What is the InChIKey of 1-(3-bromopropyl)-2-methylpiperidine;hydrobromide?
The InChIKey is UTJDEXFNKMEKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrN.BrH/c1-9-5-2-3-7-11(9)8-4-6-10;/h9H,2-8H2,1H3;1H.
What are the key properties of 1-(3-bromopropyl)-2-methylpiperidine;hydrobromide?
1-(3-bromopropyl)-2-methylpiperidine;hydrobromide has a molecular weight of 301.07 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropyl)-2-methylpiperidine;hydrobromide is sourced from PubChem (CID 71320292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).