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

C13H26BrN — CID 80690205

IUPAC3-(2-bromoethyl)-1-(2-methylpentyl)piperidine
SMILESCCCC(C)CN1CCCC(CCBr)C1
InChIInChI=1S/C13H26BrN/c1-3-5-12(2)10-15-9-4-6-13(11-15)7-8-14/h12-13H,3-11H2,1-2H3
InChIKeyQSVVZQLYAAOLGN-UHFFFAOYSA-N
MW276.26 g/mol
LogP3.92
Rot. Bonds6

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

3-(2-bromoethyl)-1-(2-methylpentyl)piperidine (PubChem CID 80690205) has the molecular formula C13H26BrN and a molecular weight of 276.26 g/mol. Its IUPAC name is 3-(2-bromoethyl)-1-(2-methylpentyl)piperidine.

Molecular Properties

Compound Name3-(2-bromoethyl)-1-(2-methylpentyl)piperidine
PubChem CID80690205
Molecular FormulaC13H26BrN
Molecular Weight276.26 g/mol
Exact Mass275.12
IUPAC Name3-(2-bromoethyl)-1-(2-methylpentyl)piperidine
SMILESCCCC(C)CN1CCCC(CCBr)C1
InChIInChI=1S/C13H26BrN/c1-3-5-12(2)10-15-9-4-6-13(11-15)7-8-14/h12-13H,3-11H2,1-2H3
InChIKeyQSVVZQLYAAOLGN-UHFFFAOYSA-N
XLogP3.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 53.92
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-(2-bromoethyl)-1-(2-methylbutyl)piperidine
CID 80691877
3-bromo-1-(2-methylpentyl)piperidine
CID 80679524
3-(2-bromoethyl)-1-pentylpiperidine
CID 80690908
3-(chloromethyl)-1-(2-methylpentyl)pyrrolidine
CID 63388562
2-[3-(2-bromoethyl)piperidin-1-yl]-N,N-diethylethanamine
CID 107913841
1-(2-methylpentyl)-3-(trifluoromethyl)piperidine
CID 155261854
(3S)-1-(2-methylpentyl)pyrrolidin-3-amine
CID 115302330
3-(2-bromoethyl)-1-(3-methylbutyl)pyrrolidine
CID 114800350
3-(2-bromoethyl)-1-(cyclobutylmethyl)pyrrolidine
CID 114800298
3-(3-ethylpiperidin-1-yl)-2-methyl-N-propylpropan-1-amine
CID 62434338
(3R)-1-(2-methylpentyl)pyrrolidin-3-ol
CID 66291662
(2S)-1-(3-ethylpiperidin-1-yl)propan-2-amine
CID 103934495

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoethyl)-1-(2-methylpentyl)piperidine?
The IUPAC name of 3-(2-bromoethyl)-1-(2-methylpentyl)piperidine (CID 80690205) is 3-(2-bromoethyl)-1-(2-methylpentyl)piperidine.
What is the SMILES notation for 3-(2-bromoethyl)-1-(2-methylpentyl)piperidine?
The canonical SMILES for 3-(2-bromoethyl)-1-(2-methylpentyl)piperidine is CCCC(C)CN1CCCC(CCBr)C1.
What is the InChIKey of 3-(2-bromoethyl)-1-(2-methylpentyl)piperidine?
The InChIKey is QSVVZQLYAAOLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrN/c1-3-5-12(2)10-15-9-4-6-13(11-15)7-8-14/h12-13H,3-11H2,1-2H3.
What are the key properties of 3-(2-bromoethyl)-1-(2-methylpentyl)piperidine?
3-(2-bromoethyl)-1-(2-methylpentyl)piperidine has a molecular weight of 276.26 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoethyl)-1-(2-methylpentyl)piperidine is sourced from PubChem (CID 80690205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).