1-(5-bromo-2-methoxyphenyl)-3-methylpiperidin-4-amine

C13H19BrN2O — CID 54976599

IUPAC1-(5-bromo-2-methoxyphenyl)-3-methylpiperidin-4-amine
SMILESCOc1ccc(Br)cc1N1CCC(N)C(C)C1
InChIInChI=1S/C13H19BrN2O/c1-9-8-16(6-5-11(9)15)12-7-10(14)3-4-13(12)17-2/h3-4,7,9,11H,5-6,8,15H2,1-2H3
InChIKeyXLEUKZVPBJGEFD-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.63
Rot. Bonds2

About 1-(5-bromo-2-methoxyphenyl)-3-methylpiperidin-4-amine

1-(5-bromo-2-methoxyphenyl)-3-methylpiperidin-4-amine (PubChem CID 54976599) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-3-methylpiperidin-4-amine
PubChem CID54976599
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name1-(5-bromo-2-methoxyphenyl)-3-methylpiperidin-4-amine
SMILESCOc1ccc(Br)cc1N1CCC(N)C(C)C1
InChIInChI=1S/C13H19BrN2O/c1-9-8-16(6-5-11(9)15)12-7-10(14)3-4-13(12)17-2/h3-4,7,9,11H,5-6,8,15H2,1-2H3
InChIKeyXLEUKZVPBJGEFD-UHFFFAOYSA-N
XLogP2.63
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-nitrophenyl)-3-methylpiperidin-4-amine
CID 79867412
1-(5-methoxy-2-methyl-4-pyridinyl)-3-methylpiperidin-4-amine
CID 106660907
(3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-amine
CID 51663668
1-(2-fluoro-5-methoxy-4-nitrophenyl)-3-methylpiperidin-4-amine
CID 107260510
1-(5-bromo-2-methoxyphenyl)-3-(2-methylpropyl)-1,4-diazepane
CID 64945227
1-(4,6-dimethoxypyrimidin-2-yl)-3-methylpiperidin-4-amine
CID 113293006
1-(5-bromo-4-fluoro-2-methylphenyl)-3-methylpiperidin-4-amine
CID 107592784
1-(5-bromo-2-methoxyphenyl)-3-propyl-1,4-diazepane
CID 64945407
5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)aniline
CID 102955590
(4-amino-3-methylpiperidin-1-yl)-(2,5-dimethoxyphenyl)methanone
CID 79880599
1-(5-bromo-4-methoxypyrimidin-2-yl)-3-methylpiperidin-4-amine
CID 106998228
1-(5-bromo-2-methoxyphenyl)-3-butan-2-yl-1,4-diazepane
CID 64945226

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-methylpiperidin-4-amine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-methylpiperidin-4-amine (CID 54976599) is 1-(5-bromo-2-methoxyphenyl)-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-3-methylpiperidin-4-amine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-3-methylpiperidin-4-amine is COc1ccc(Br)cc1N1CCC(N)C(C)C1.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-3-methylpiperidin-4-amine?
The InChIKey is XLEUKZVPBJGEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-9-8-16(6-5-11(9)15)12-7-10(14)3-4-13(12)17-2/h3-4,7,9,11H,5-6,8,15H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-3-methylpiperidin-4-amine?
1-(5-bromo-2-methoxyphenyl)-3-methylpiperidin-4-amine has a molecular weight of 299.21 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-3-methylpiperidin-4-amine is sourced from PubChem (CID 54976599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).