4-bromo-1-(2-ethylhexyl)piperidine

C13H26BrN — CID 80678889

IUPAC4-bromo-1-(2-ethylhexyl)piperidine
SMILESCCCCC(CC)CN1CCC(Br)CC1
InChIInChI=1S/C13H26BrN/c1-3-5-6-12(4-2)11-15-9-7-13(14)8-10-15/h12-13H,3-11H2,1-2H3
InChIKeyBJIHAGYQJOXIFL-UHFFFAOYSA-N
MW276.26 g/mol
LogP4.06
Rot. Bonds6

About 4-bromo-1-(2-ethylhexyl)piperidine

4-bromo-1-(2-ethylhexyl)piperidine (PubChem CID 80678889) has the molecular formula C13H26BrN and a molecular weight of 276.26 g/mol. Its IUPAC name is 4-bromo-1-(2-ethylhexyl)piperidine.

Molecular Properties

Compound Name4-bromo-1-(2-ethylhexyl)piperidine
PubChem CID80678889
Molecular FormulaC13H26BrN
Molecular Weight276.26 g/mol
Exact Mass275.12
IUPAC Name4-bromo-1-(2-ethylhexyl)piperidine
SMILESCCCCC(CC)CN1CCC(Br)CC1
InChIInChI=1S/C13H26BrN/c1-3-5-6-12(4-2)11-15-9-7-13(14)8-10-15/h12-13H,3-11H2,1-2H3
InChIKeyBJIHAGYQJOXIFL-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
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-(1-chloroethyl)-1-(2-ethylhexyl)piperidine
CID 106837967
1-(2-ethylhexyl)-4,6-dimethyl-1,5-diazocane
CID 107817900
2-[1-(2-ethylhexyl)pyrrolidin-3-yl]ethanol
CID 104627914
N-ethyl-1-(2-ethylhexyl)pyrrolidin-3-amine
CID 107815392
4-(2-chloroethoxy)-1-(2-ethylhexyl)piperidine
CID 82701804
N-[[1-(2-ethylhexyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62592756
1-(2-ethylhexyl)-N,3-dimethylpiperidin-4-amine
CID 114499149
1-(2-ethylhexyl)pyrrolidine-3,4-diol
CID 106672045
N,3-diethyl-1-(2-ethylhexyl)piperidin-4-amine
CID 114507460
3-ethyl-1-(2-ethylhexyl)-N-propylpiperidin-4-amine
CID 114507677
1-[1-(2-ethylhexyl)piperidin-3-yl]ethanamine
CID 55258928
2-[1-(2-ethylhexyl)piperidin-3-yl]ethanol
CID 55064618

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-ethylhexyl)piperidine?
The IUPAC name of 4-bromo-1-(2-ethylhexyl)piperidine (CID 80678889) is 4-bromo-1-(2-ethylhexyl)piperidine.
What is the SMILES notation for 4-bromo-1-(2-ethylhexyl)piperidine?
The canonical SMILES for 4-bromo-1-(2-ethylhexyl)piperidine is CCCCC(CC)CN1CCC(Br)CC1.
What is the InChIKey of 4-bromo-1-(2-ethylhexyl)piperidine?
The InChIKey is BJIHAGYQJOXIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrN/c1-3-5-6-12(4-2)11-15-9-7-13(14)8-10-15/h12-13H,3-11H2,1-2H3.
What are the key properties of 4-bromo-1-(2-ethylhexyl)piperidine?
4-bromo-1-(2-ethylhexyl)piperidine has a molecular weight of 276.26 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-ethylhexyl)piperidine is sourced from PubChem (CID 80678889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).