3-(bromomethyl)-5-methyl-1-[(1-methylcyclobutyl)methyl]piperidine

C13H24BrN — CID 130855798

IUPAC3-(bromomethyl)-5-methyl-1-[(1-methylcyclobutyl)methyl]piperidine
SMILESCC1CC(CBr)CN(CC2(C)CCC2)C1
InChIInChI=1S/C13H24BrN/c1-11-6-12(7-14)9-15(8-11)10-13(2)4-3-5-13/h11-12H,3-10H2,1-2H3
InChIKeyURDHERDQAGECMR-UHFFFAOYSA-N
MW274.25 g/mol
LogP3.53
Rot. Bonds3

About 3-(bromomethyl)-5-methyl-1-[(1-methylcyclobutyl)methyl]piperidine

3-(bromomethyl)-5-methyl-1-[(1-methylcyclobutyl)methyl]piperidine (PubChem CID 130855798) has the molecular formula C13H24BrN and a molecular weight of 274.25 g/mol. Its IUPAC name is 3-(bromomethyl)-5-methyl-1-[(1-methylcyclobutyl)methyl]piperidine.

Molecular Properties

Compound Name3-(bromomethyl)-5-methyl-1-[(1-methylcyclobutyl)methyl]piperidine
PubChem CID130855798
Molecular FormulaC13H24BrN
Molecular Weight274.25 g/mol
Exact Mass273.11
IUPAC Name3-(bromomethyl)-5-methyl-1-[(1-methylcyclobutyl)methyl]piperidine
SMILESCC1CC(CBr)CN(CC2(C)CCC2)C1
InChIInChI=1S/C13H24BrN/c1-11-6-12(7-14)9-15(8-11)10-13(2)4-3-5-13/h11-12H,3-10H2,1-2H3
InChIKeyURDHERDQAGECMR-UHFFFAOYSA-N
XLogP3.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(bromomethyl)-5-methyl-1-[(1-methylcyclobutyl)methyl]piperidine 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

3-(bromomethyl)-1-(2-fluoroethyl)-5-methylpiperidine
CID 130915085
(3R,5S)-3,5-dimethyl-1-[(1-methylcyclobutyl)methyl]piperazine
CID 130956949
1-[(1-methylcyclopentyl)methyl]azetidin-3-amine
CID 130577986
1-[(3,5-dimethylpiperidin-1-yl)methyl]cyclobutan-1-amine
CID 81169692
1-[[1-(bromomethyl)cyclopropyl]methyl]-3,5-dimethylpiperidine
CID 65013837
5-[(1-methylcyclobutyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 130174300
3-[(1-methylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 170374649
1-[(1-methylcyclobutyl)methyl]azetidine-3-carboxylic acid
CID 130601346
3-(bromomethyl)-1-cyclopentyl-5-methylpiperidine
CID 130804417
methane;3-[(1-methylcyclobutyl)methyl]-3,8-diazabicyclo[3.2.1]octane
CID 178038134
5-methyl-1-[(1-methylsulfanylcyclopropyl)methyl]piperidin-3-amine
CID 130506311
1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-3,5-dimethylpiperidine
CID 176561973

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-5-methyl-1-[(1-methylcyclobutyl)methyl]piperidine?
The IUPAC name of 3-(bromomethyl)-5-methyl-1-[(1-methylcyclobutyl)methyl]piperidine (CID 130855798) is 3-(bromomethyl)-5-methyl-1-[(1-methylcyclobutyl)methyl]piperidine.
What is the SMILES notation for 3-(bromomethyl)-5-methyl-1-[(1-methylcyclobutyl)methyl]piperidine?
The canonical SMILES for 3-(bromomethyl)-5-methyl-1-[(1-methylcyclobutyl)methyl]piperidine is CC1CC(CBr)CN(CC2(C)CCC2)C1.
What is the InChIKey of 3-(bromomethyl)-5-methyl-1-[(1-methylcyclobutyl)methyl]piperidine?
The InChIKey is URDHERDQAGECMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrN/c1-11-6-12(7-14)9-15(8-11)10-13(2)4-3-5-13/h11-12H,3-10H2,1-2H3.
What are the key properties of 3-(bromomethyl)-5-methyl-1-[(1-methylcyclobutyl)methyl]piperidine?
3-(bromomethyl)-5-methyl-1-[(1-methylcyclobutyl)methyl]piperidine has a molecular weight of 274.25 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-5-methyl-1-[(1-methylcyclobutyl)methyl]piperidine is sourced from PubChem (CID 130855798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).