2-(2-bromo-3-methoxyphenyl)piperidine

C12H16BrNO — CID 84712674

IUPAC2-(2-bromo-3-methoxyphenyl)piperidine
SMILESCOc1cccc(C2CCCCN2)c1Br
InChIInChI=1S/C12H16BrNO/c1-15-11-7-4-5-9(12(11)13)10-6-2-3-8-14-10/h4-5,7,10,14H,2-3,6,8H2,1H3
InChIKeyUDVHNKIPCXFQMY-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.27
Rot. Bonds2

About 2-(2-bromo-3-methoxyphenyl)piperidine

2-(2-bromo-3-methoxyphenyl)piperidine (PubChem CID 84712674) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-(2-bromo-3-methoxyphenyl)piperidine.

Molecular Properties

Compound Name2-(2-bromo-3-methoxyphenyl)piperidine
PubChem CID84712674
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-(2-bromo-3-methoxyphenyl)piperidine
SMILESCOc1cccc(C2CCCCN2)c1Br
InChIInChI=1S/C12H16BrNO/c1-15-11-7-4-5-9(12(11)13)10-6-2-3-8-14-10/h4-5,7,10,14H,2-3,6,8H2,1H3
InChIKeyUDVHNKIPCXFQMY-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-chloro-3-methoxyphenyl)pyrrolidine
CID 130973106
2-(2-chloro-3-methoxyphenyl)pyrrolidine
CID 83703297
(2R)-2-(2-methoxyphenyl)pyrrolidine
CID 7047810
2-(2-bromo-3-fluorophenyl)piperidine
CID 84709368
(2S)-2-(4-fluoro-2-methoxyphenyl)piperidine
CID 96773994
N-(2-methoxy-6-piperidin-2-ylphenyl)acetamide
CID 117374229
2-(2,3-dichloro-4-methoxyphenyl)piperidine
CID 116962306
(2S)-2-(2,4-dimethoxyphenyl)piperidine
CID 7022848
(2R)-2-(2,3,4-trimethoxyphenyl)piperidine;hydrochloride
CID 171195335
2-(2-bromo-4-methoxyphenyl)piperidine
CID 82625568
2-(2,3,4-trimethoxyphenyl)azepane
CID 62543922
(2S)-2-(2,3-dibromophenyl)pyrrolidine
CID 131217135

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-methoxyphenyl)piperidine?
The IUPAC name of 2-(2-bromo-3-methoxyphenyl)piperidine (CID 84712674) is 2-(2-bromo-3-methoxyphenyl)piperidine.
What is the SMILES notation for 2-(2-bromo-3-methoxyphenyl)piperidine?
The canonical SMILES for 2-(2-bromo-3-methoxyphenyl)piperidine is COc1cccc(C2CCCCN2)c1Br.
What is the InChIKey of 2-(2-bromo-3-methoxyphenyl)piperidine?
The InChIKey is UDVHNKIPCXFQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-15-11-7-4-5-9(12(11)13)10-6-2-3-8-14-10/h4-5,7,10,14H,2-3,6,8H2,1H3.
What are the key properties of 2-(2-bromo-3-methoxyphenyl)piperidine?
2-(2-bromo-3-methoxyphenyl)piperidine has a molecular weight of 270.17 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-methoxyphenyl)piperidine is sourced from PubChem (CID 84712674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).