1-(3-bromo-5-methoxyphenyl)-4-methylpiperidine

C13H18BrNO — CID 155289674

IUPAC1-(3-bromo-5-methoxyphenyl)-4-methylpiperidine
SMILESCOc1cc(Br)cc(N2CCC(C)CC2)c1
InChIInChI=1S/C13H18BrNO/c1-10-3-5-15(6-4-10)12-7-11(14)8-13(9-12)16-2/h7-10H,3-6H2,1-2H3
InChIKeyXCCKNKZQQOVKOM-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.69
Rot. Bonds2

About 1-(3-bromo-5-methoxyphenyl)-4-methylpiperidine

1-(3-bromo-5-methoxyphenyl)-4-methylpiperidine (PubChem CID 155289674) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-(3-bromo-5-methoxyphenyl)-4-methylpiperidine.

Molecular Properties

Compound Name1-(3-bromo-5-methoxyphenyl)-4-methylpiperidine
PubChem CID155289674
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name1-(3-bromo-5-methoxyphenyl)-4-methylpiperidine
SMILESCOc1cc(Br)cc(N2CCC(C)CC2)c1
InChIInChI=1S/C13H18BrNO/c1-10-3-5-15(6-4-10)12-7-11(14)8-13(9-12)16-2/h7-10H,3-6H2,1-2H3
InChIKeyXCCKNKZQQOVKOM-UHFFFAOYSA-N
XLogP3.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-methoxyphenyl)piperidin-4-one
CID 82867907
1-(3-bromo-5-methoxyphenyl)-3-propan-2-ylpiperazine
CID 82858776
2-(3-bromo-5-methoxyphenyl)-1,3-dihydroisoindol-5-amine
CID 82860482
1-(3-bromo-5-methoxyphenyl)-3-ethyl-1,4-diazepane
CID 82860819
1-(3,5-dibromophenyl)-5-methyl-1,4-diazepane
CID 165455601
1-(3,5-dichlorophenyl)-4-methylpiperidine
CID 157277314
1-(3-fluoro-5-methoxyphenyl)-N-methylpiperidin-4-amine
CID 114263163
N'-(4-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108987256
5-bromo-2-methoxy-3-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 3967891
1-(3,5-dimethoxyphenyl)-N-propylpiperidin-4-amine
CID 43315050
2-fluoro-6-methoxy-4-(4-methylpiperidin-1-yl)aniline
CID 166463434
1-(3,5-dimethoxyphenyl)piperazine
CID 2736205

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methoxyphenyl)-4-methylpiperidine?
The IUPAC name of 1-(3-bromo-5-methoxyphenyl)-4-methylpiperidine (CID 155289674) is 1-(3-bromo-5-methoxyphenyl)-4-methylpiperidine.
What is the SMILES notation for 1-(3-bromo-5-methoxyphenyl)-4-methylpiperidine?
The canonical SMILES for 1-(3-bromo-5-methoxyphenyl)-4-methylpiperidine is COc1cc(Br)cc(N2CCC(C)CC2)c1.
What is the InChIKey of 1-(3-bromo-5-methoxyphenyl)-4-methylpiperidine?
The InChIKey is XCCKNKZQQOVKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-10-3-5-15(6-4-10)12-7-11(14)8-13(9-12)16-2/h7-10H,3-6H2,1-2H3.
What are the key properties of 1-(3-bromo-5-methoxyphenyl)-4-methylpiperidine?
1-(3-bromo-5-methoxyphenyl)-4-methylpiperidine has a molecular weight of 284.20 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methoxyphenyl)-4-methylpiperidine is sourced from PubChem (CID 155289674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).