4-bromo-1-(2-cyclobutylethyl)-3,5-dimethylpiperidine

C13H24BrN — CID 164657785

IUPAC4-bromo-1-(2-cyclobutylethyl)-3,5-dimethylpiperidine
SMILESCC1CN(CCC2CCC2)CC(C)C1Br
InChIInChI=1S/C13H24BrN/c1-10-8-15(9-11(2)13(10)14)7-6-12-4-3-5-12/h10-13H,3-9H2,1-2H3
InChIKeyCPBCDYCCFYHNIC-UHFFFAOYSA-N
MW274.25 g/mol
LogP3.53
Rot. Bonds3

About 4-bromo-1-(2-cyclobutylethyl)-3,5-dimethylpiperidine

4-bromo-1-(2-cyclobutylethyl)-3,5-dimethylpiperidine (PubChem CID 164657785) has the molecular formula C13H24BrN and a molecular weight of 274.25 g/mol. Its IUPAC name is 4-bromo-1-(2-cyclobutylethyl)-3,5-dimethylpiperidine.

Molecular Properties

Compound Name4-bromo-1-(2-cyclobutylethyl)-3,5-dimethylpiperidine
PubChem CID164657785
Molecular FormulaC13H24BrN
Molecular Weight274.25 g/mol
Exact Mass273.11
IUPAC Name4-bromo-1-(2-cyclobutylethyl)-3,5-dimethylpiperidine
SMILESCC1CN(CCC2CCC2)CC(C)C1Br
InChIInChI=1S/C13H24BrN/c1-10-8-15(9-11(2)13(10)14)7-6-12-4-3-5-12/h10-13H,3-9H2,1-2H3
InChIKeyCPBCDYCCFYHNIC-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'}

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Related Compounds

1-(2-cyclopentylethyl)-4-methylpyrrolidin-3-ol
CID 127008901
1-(2-cyclohexylethyl)-4-methylpyrrolidin-3-amine
CID 103575423
3-bromo-1-(2-cyclopentylethyl)piperidine
CID 130479214
1-[4-[1-(2-cyclopentylethyl)-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone
CID 71927805
1-(2-cyclobutylethyl)-4-propan-2-ylpiperidine
CID 176983543
N,N,4-trimethyl-1-(2-piperidin-4-ylethyl)pyrrolidin-3-amine
CID 81464634
N,N,4-trimethyl-1-(2-piperidin-3-ylethyl)pyrrolidin-3-amine
CID 81463747
3-bromo-4-methyl-1-[(3-methylcyclohexyl)methyl]pyrrolidine
CID 130909248
3,5-dimethyl-1-(2-piperidin-4-ylethyl)piperidine
CID 43149903
1-(2-cyclohexylethyl)-4,6-dimethyl-1,5-diazocane
CID 54977626
1-(2-cyclopropylethyl)pyrrolidine
CID 67632943
1-methyl-3-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidine
CID 91419718

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-cyclobutylethyl)-3,5-dimethylpiperidine?
The IUPAC name of 4-bromo-1-(2-cyclobutylethyl)-3,5-dimethylpiperidine (CID 164657785) is 4-bromo-1-(2-cyclobutylethyl)-3,5-dimethylpiperidine.
What is the SMILES notation for 4-bromo-1-(2-cyclobutylethyl)-3,5-dimethylpiperidine?
The canonical SMILES for 4-bromo-1-(2-cyclobutylethyl)-3,5-dimethylpiperidine is CC1CN(CCC2CCC2)CC(C)C1Br.
What is the InChIKey of 4-bromo-1-(2-cyclobutylethyl)-3,5-dimethylpiperidine?
The InChIKey is CPBCDYCCFYHNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrN/c1-10-8-15(9-11(2)13(10)14)7-6-12-4-3-5-12/h10-13H,3-9H2,1-2H3.
What are the key properties of 4-bromo-1-(2-cyclobutylethyl)-3,5-dimethylpiperidine?
4-bromo-1-(2-cyclobutylethyl)-3,5-dimethylpiperidine 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 4-bromo-1-(2-cyclobutylethyl)-3,5-dimethylpiperidine is sourced from PubChem (CID 164657785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).