3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]piperidine;hydrochloride

C13H16BrCl2N — CID 45260392

IUPAC3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]piperidine;hydrochloride
SMILESCl.Clc1ccc(Br)cc1/C=C/C1CCCNC1
InChIInChI=1S/C13H15BrClN.ClH/c14-12-5-6-13(15)11(8-12)4-3-10-2-1-7-16-9-10;/h3-6,8,10,16H,1-2,7,9H2;1H/b4-3+;
InChIKeyALNOZBGMILKKHA-BJILWQEISA-N
MW337.09 g/mol
LogP4.54
Rot. Bonds2

About 3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]piperidine;hydrochloride

3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]piperidine;hydrochloride (PubChem CID 45260392) has the molecular formula C13H16BrCl2N and a molecular weight of 337.09 g/mol. Its IUPAC name is 3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]piperidine;hydrochloride.

Molecular Properties

Compound Name3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]piperidine;hydrochloride
PubChem CID45260392
Molecular FormulaC13H16BrCl2N
Molecular Weight337.09 g/mol
Exact Mass334.98
IUPAC Name3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]piperidine;hydrochloride
SMILESCl.Clc1ccc(Br)cc1/C=C/C1CCCNC1
InChIInChI=1S/C13H15BrClN.ClH/c14-12-5-6-13(15)11(8-12)4-3-10-2-1-7-16-9-10;/h3-6,8,10,16H,1-2,7,9H2;1H/b4-3+;
InChIKeyALNOZBGMILKKHA-BJILWQEISA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.09
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S,4R)-3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]-4-(4-fluorophenyl)piperidine
CID 44447596
(3R)-3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]piperidine
CID 44447600
[(5-Bromo-2-chlorophenyl)methyl](methyl)amine
CID 43378980
4-((2-Chlorophenyl)methyl)piperidine hydrochloride
CID 124106874
(3R,4R)-3-[2-(5-bromo-2-chlorophenyl)ethyl]-4-fluoropiperidine;hydrochloride
CID 9950618
(3S,4S)-3-[3-(5-bromo-2-chlorophenyl)propyl]-4-fluoropiperidine;hydrochloride
CID 45260339
3-[(5-Bromo-2-chlorophenyl)methyl]piperidin-4-one;hydrochloride
CID 45260352
5-[(5-Bromo-2-chlorophenyl)methyl]-1,2,3,6-tetrahydropyridine;hydrochloride
CID 45260385
(3S,4S)-3-[(5-bromo-2-chlorophenyl)methyl]-4-fluoropiperidine;hydrochloride
CID 45260390
5-[(5-Bromo-2-chlorophenyl)methyl]-4-fluoro-1,2,3,6-tetrahydropyridine;hydrochloride
CID 45264323
3-[2-(5-Bromo-2-chlorophenyl)ethyl]piperidine;hydrochloride
CID 45264334
N'-[(5-bromo-2-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine
CID 103102225

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]piperidine;hydrochloride?
The IUPAC name of 3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]piperidine;hydrochloride (CID 45260392) is 3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]piperidine;hydrochloride.
What is the SMILES notation for 3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]piperidine;hydrochloride?
The canonical SMILES for 3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]piperidine;hydrochloride is Cl.Clc1ccc(Br)cc1/C=C/C1CCCNC1.
What is the InChIKey of 3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]piperidine;hydrochloride?
The InChIKey is ALNOZBGMILKKHA-BJILWQEISA-N. The full InChI is InChI=1S/C13H15BrClN.ClH/c14-12-5-6-13(15)11(8-12)4-3-10-2-1-7-16-9-10;/h3-6,8,10,16H,1-2,7,9H2;1H/b4-3+;.
What are the key properties of 3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]piperidine;hydrochloride?
3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]piperidine;hydrochloride has a molecular weight of 337.09 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]piperidine;hydrochloride is sourced from PubChem (CID 45260392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).