1-(5-bromo-4-fluoro-2-methylphenyl)-3-methylpiperidin-4-amine

C13H18BrFN2 — CID 107592784

IUPAC1-(5-bromo-4-fluoro-2-methylphenyl)-3-methylpiperidin-4-amine
SMILESCc1cc(F)c(Br)cc1N1CCC(N)C(C)C1
InChIInChI=1S/C13H18BrFN2/c1-8-5-11(15)10(14)6-13(8)17-4-3-12(16)9(2)7-17/h5-6,9,12H,3-4,7,16H2,1-2H3
InChIKeyJWDZJISPBPXPDB-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.07
Rot. Bonds1

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

1-(5-bromo-4-fluoro-2-methylphenyl)-3-methylpiperidin-4-amine (PubChem CID 107592784) has the molecular formula C13H18BrFN2 and a molecular weight of 301.20 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2-methylphenyl)-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-methylphenyl)-3-methylpiperidin-4-amine
PubChem CID107592784
Molecular FormulaC13H18BrFN2
Molecular Weight301.20 g/mol
Exact Mass300.06
IUPAC Name1-(5-bromo-4-fluoro-2-methylphenyl)-3-methylpiperidin-4-amine
SMILESCc1cc(F)c(Br)cc1N1CCC(N)C(C)C1
InChIInChI=1S/C13H18BrFN2/c1-8-5-11(15)10(14)6-13(8)17-4-3-12(16)9(2)7-17/h5-6,9,12H,3-4,7,16H2,1-2H3
InChIKeyJWDZJISPBPXPDB-UHFFFAOYSA-N
XLogP3.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)-3-methylpiperidin-4-amine?
The IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)-3-methylpiperidin-4-amine (CID 107592784) is 1-(5-bromo-4-fluoro-2-methylphenyl)-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-methylphenyl)-3-methylpiperidin-4-amine?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-methylphenyl)-3-methylpiperidin-4-amine is Cc1cc(F)c(Br)cc1N1CCC(N)C(C)C1.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-methylphenyl)-3-methylpiperidin-4-amine?
The InChIKey is JWDZJISPBPXPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2/c1-8-5-11(15)10(14)6-13(8)17-4-3-12(16)9(2)7-17/h5-6,9,12H,3-4,7,16H2,1-2H3.
What are the key properties of 1-(5-bromo-4-fluoro-2-methylphenyl)-3-methylpiperidin-4-amine?
1-(5-bromo-4-fluoro-2-methylphenyl)-3-methylpiperidin-4-amine has a molecular weight of 301.20 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-fluoro-2-methylphenyl)-3-methylpiperidin-4-amine is sourced from PubChem (CID 107592784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).