3-bromo-1-(2-methylpentyl)piperidine

C11H22BrN — CID 80679524

IUPAC3-bromo-1-(2-methylpentyl)piperidine
SMILESCCCC(C)CN1CCCC(Br)C1
InChIInChI=1S/C11H22BrN/c1-3-5-10(2)8-13-7-4-6-11(12)9-13/h10-11H,3-9H2,1-2H3
InChIKeyPCSMFWLGQZFVAU-UHFFFAOYSA-N
MW248.21 g/mol
LogP3.28
Rot. Bonds4

About 3-bromo-1-(2-methylpentyl)piperidine

3-bromo-1-(2-methylpentyl)piperidine (PubChem CID 80679524) has the molecular formula C11H22BrN and a molecular weight of 248.21 g/mol. Its IUPAC name is 3-bromo-1-(2-methylpentyl)piperidine.

Molecular Properties

Compound Name3-bromo-1-(2-methylpentyl)piperidine
PubChem CID80679524
Molecular FormulaC11H22BrN
Molecular Weight248.21 g/mol
Exact Mass247.09
IUPAC Name3-bromo-1-(2-methylpentyl)piperidine
SMILESCCCC(C)CN1CCCC(Br)C1
InChIInChI=1S/C11H22BrN/c1-3-5-10(2)8-13-7-4-6-11(12)9-13/h10-11H,3-9H2,1-2H3
InChIKeyPCSMFWLGQZFVAU-UHFFFAOYSA-N
XLogP3.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 53.28
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

3-bromo-1-(2-ethylbutyl)piperidine
CID 82923780
3-(2-bromoethyl)-1-(2-methylpentyl)piperidine
CID 80690205
1-(2-methylpentyl)-3-(trifluoromethyl)piperidine
CID 155261854
3-bromo-1-butylpiperidine
CID 14569986
(3S)-1-(2-methylpentyl)pyrrolidin-3-amine
CID 115302330
(3R)-1-(2-methylpentyl)pyrrolidin-3-ol
CID 66291662
3-(chloromethyl)-1-(2-methylpentyl)pyrrolidine
CID 63388562
3-bromo-1-(2-cyclobutylpropyl)pyrrolidine
CID 130804419
3-(2-bromoethyl)-1-(2-methylbutyl)piperidine
CID 80691877
3-bromo-1-(2-cyclopentylethyl)piperidine
CID 130479214
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-3-methylbutan-1-amine
CID 80544084
3-(3-ethylpiperidin-1-yl)-2-methyl-N-propylpropan-1-amine
CID 62434338

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2-methylpentyl)piperidine?
The IUPAC name of 3-bromo-1-(2-methylpentyl)piperidine (CID 80679524) is 3-bromo-1-(2-methylpentyl)piperidine.
What is the SMILES notation for 3-bromo-1-(2-methylpentyl)piperidine?
The canonical SMILES for 3-bromo-1-(2-methylpentyl)piperidine is CCCC(C)CN1CCCC(Br)C1.
What is the InChIKey of 3-bromo-1-(2-methylpentyl)piperidine?
The InChIKey is PCSMFWLGQZFVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrN/c1-3-5-10(2)8-13-7-4-6-11(12)9-13/h10-11H,3-9H2,1-2H3.
What are the key properties of 3-bromo-1-(2-methylpentyl)piperidine?
3-bromo-1-(2-methylpentyl)piperidine has a molecular weight of 248.21 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2-methylpentyl)piperidine is sourced from PubChem (CID 80679524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).