1-[2-(2-bromo-5-methoxyphenyl)ethyl]-2-methylpiperidine

C15H22BrNO — CID 171934524

IUPAC1-[2-(2-bromo-5-methoxyphenyl)ethyl]-2-methylpiperidine
SMILESCOc1ccc(Br)c(CCN2CCCCC2C)c1
InChIInChI=1S/C15H22BrNO/c1-12-5-3-4-9-17(12)10-8-13-11-14(18-2)6-7-15(13)16/h6-7,11-12H,3-5,8-10H2,1-2H3
InChIKeyAZICBSWEDNQIQB-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.87
Rot. Bonds4

About 1-[2-(2-bromo-5-methoxyphenyl)ethyl]-2-methylpiperidine

1-[2-(2-bromo-5-methoxyphenyl)ethyl]-2-methylpiperidine (PubChem CID 171934524) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-[2-(2-bromo-5-methoxyphenyl)ethyl]-2-methylpiperidine.

Molecular Properties

Compound Name1-[2-(2-bromo-5-methoxyphenyl)ethyl]-2-methylpiperidine
PubChem CID171934524
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name1-[2-(2-bromo-5-methoxyphenyl)ethyl]-2-methylpiperidine
SMILESCOc1ccc(Br)c(CCN2CCCCC2C)c1
InChIInChI=1S/C15H22BrNO/c1-12-5-3-4-9-17(12)10-8-13-11-14(18-2)6-7-15(13)16/h6-7,11-12H,3-5,8-10H2,1-2H3
InChIKeyAZICBSWEDNQIQB-UHFFFAOYSA-N
XLogP3.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[2-(4-methoxyphenoxy)ethyl]-2-methylpiperidine
CID 166625466
4-methoxy-2-[(2-methylazepan-1-yl)methyl]phenol
CID 82980507
(4aR,8aR)-1-[(2-bromo-5-methoxyphenyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727810
[1-[(2-bromo-5-methoxyphenyl)methyl]azepan-2-yl]methanol
CID 116637167
5-methoxy-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-1H-indole;hydrochloride
CID 21313363
1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine
CID 75030496
N-[(2-fluoro-4-methoxyphenyl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 102876221
1-[2-(2,5-difluorophenyl)ethyl]-2-methylpiperidine
CID 155721139
N-[(2-bromo-5-methoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 65326987
[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 65326810
1-(4-methoxyphenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol
CID 82073694
methyl 2-[1-[(2-bromo-5-methoxyphenyl)methyl]piperidin-2-yl]acetate
CID 65327147

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromo-5-methoxyphenyl)ethyl]-2-methylpiperidine?
The IUPAC name of 1-[2-(2-bromo-5-methoxyphenyl)ethyl]-2-methylpiperidine (CID 171934524) is 1-[2-(2-bromo-5-methoxyphenyl)ethyl]-2-methylpiperidine.
What is the SMILES notation for 1-[2-(2-bromo-5-methoxyphenyl)ethyl]-2-methylpiperidine?
The canonical SMILES for 1-[2-(2-bromo-5-methoxyphenyl)ethyl]-2-methylpiperidine is COc1ccc(Br)c(CCN2CCCCC2C)c1.
What is the InChIKey of 1-[2-(2-bromo-5-methoxyphenyl)ethyl]-2-methylpiperidine?
The InChIKey is AZICBSWEDNQIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-12-5-3-4-9-17(12)10-8-13-11-14(18-2)6-7-15(13)16/h6-7,11-12H,3-5,8-10H2,1-2H3.
What are the key properties of 1-[2-(2-bromo-5-methoxyphenyl)ethyl]-2-methylpiperidine?
1-[2-(2-bromo-5-methoxyphenyl)ethyl]-2-methylpiperidine has a molecular weight of 312.25 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromo-5-methoxyphenyl)ethyl]-2-methylpiperidine is sourced from PubChem (CID 171934524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).