4-bromo-1-(cyclohexylmethyl)-3-methylpiperidine

C13H24BrN — CID 114682450

IUPAC4-bromo-1-(cyclohexylmethyl)-3-methylpiperidine
SMILESCC1CN(CC2CCCCC2)CCC1Br
InChIInChI=1S/C13H24BrN/c1-11-9-15(8-7-13(11)14)10-12-5-3-2-4-6-12/h11-13H,2-10H2,1H3
InChIKeyJLKSSVZCBYHRNW-UHFFFAOYSA-N
MW274.25 g/mol
LogP3.67
Rot. Bonds2

About 4-bromo-1-(cyclohexylmethyl)-3-methylpiperidine

4-bromo-1-(cyclohexylmethyl)-3-methylpiperidine (PubChem CID 114682450) has the molecular formula C13H24BrN and a molecular weight of 274.25 g/mol. Its IUPAC name is 4-bromo-1-(cyclohexylmethyl)-3-methylpiperidine.

Molecular Properties

Compound Name4-bromo-1-(cyclohexylmethyl)-3-methylpiperidine
PubChem CID114682450
Molecular FormulaC13H24BrN
Molecular Weight274.25 g/mol
Exact Mass273.11
IUPAC Name4-bromo-1-(cyclohexylmethyl)-3-methylpiperidine
SMILESCC1CN(CC2CCCCC2)CCC1Br
InChIInChI=1S/C13H24BrN/c1-11-9-15(8-7-13(11)14)10-12-5-3-2-4-6-12/h11-13H,2-10H2,1H3
InChIKeyJLKSSVZCBYHRNW-UHFFFAOYSA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-methyl-1-[(5-methyloxolan-2-yl)methyl]piperidine
CID 103140046
4-bromo-3-methyl-1-(3-methylbutyl)piperidine
CID 114682410
1-(cyclohexylmethyl)-3-(2,2-dimethylpropyl)pyrrolidine
CID 70936687
3-bromo-4-methyl-1-[(3-methylcyclohexyl)methyl]pyrrolidine
CID 130909248
[1-(cyclohexylmethyl)pyrrolidin-3-yl]methanol
CID 44558451
1-(cyclopentylmethyl)pyrrolidin-3-ol
CID 62916815
(3R)-1-(cyclopentylmethyl)-3-methoxypyrrolidine
CID 126986050
4-bromo-3-methyl-1-(4-methylpentyl)piperidine
CID 114682378
(3S,4S)-1-(cyclooctylmethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114207962
(3S)-1-[[1-(1-cyclohexylethenyl)piperidin-4-yl]methyl]-3,4-dimethylpiperidine
CID 178175060
1-(cyclopropylmethyl)-3-methylpyrrolidine
CID 66698418
1-(cyclopentylmethyl)-3-methylazetidine;ethane
CID 170635861

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(cyclohexylmethyl)-3-methylpiperidine?
The IUPAC name of 4-bromo-1-(cyclohexylmethyl)-3-methylpiperidine (CID 114682450) is 4-bromo-1-(cyclohexylmethyl)-3-methylpiperidine.
What is the SMILES notation for 4-bromo-1-(cyclohexylmethyl)-3-methylpiperidine?
The canonical SMILES for 4-bromo-1-(cyclohexylmethyl)-3-methylpiperidine is CC1CN(CC2CCCCC2)CCC1Br.
What is the InChIKey of 4-bromo-1-(cyclohexylmethyl)-3-methylpiperidine?
The InChIKey is JLKSSVZCBYHRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrN/c1-11-9-15(8-7-13(11)14)10-12-5-3-2-4-6-12/h11-13H,2-10H2,1H3.
What are the key properties of 4-bromo-1-(cyclohexylmethyl)-3-methylpiperidine?
4-bromo-1-(cyclohexylmethyl)-3-methylpiperidine has a molecular weight of 274.25 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(cyclohexylmethyl)-3-methylpiperidine is sourced from PubChem (CID 114682450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).