1-(2-bromo-5-methylphenyl)-N-methylpiperidin-4-amine

C13H19BrN2 — CID 82757769

IUPAC1-(2-bromo-5-methylphenyl)-N-methylpiperidin-4-amine
SMILESCNC1CCN(c2cc(C)ccc2Br)CC1
InChIInChI=1S/C13H19BrN2/c1-10-3-4-12(14)13(9-10)16-7-5-11(15-2)6-8-16/h3-4,9,11,15H,5-8H2,1-2H3
InChIKeyRIUUSUIVPMFZHS-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.95
Rot. Bonds2

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

1-(2-bromo-5-methylphenyl)-N-methylpiperidin-4-amine (PubChem CID 82757769) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-N-methylpiperidin-4-amine
PubChem CID82757769
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name1-(2-bromo-5-methylphenyl)-N-methylpiperidin-4-amine
SMILESCNC1CCN(c2cc(C)ccc2Br)CC1
InChIInChI=1S/C13H19BrN2/c1-10-3-4-12(14)13(9-10)16-7-5-11(15-2)6-8-16/h3-4,9,11,15H,5-8H2,1-2H3
InChIKeyRIUUSUIVPMFZHS-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-N-methylpiperidin-4-amine?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-N-methylpiperidin-4-amine (CID 82757769) is 1-(2-bromo-5-methylphenyl)-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-N-methylpiperidin-4-amine?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-N-methylpiperidin-4-amine is CNC1CCN(c2cc(C)ccc2Br)CC1.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-N-methylpiperidin-4-amine?
The InChIKey is RIUUSUIVPMFZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-10-3-4-12(14)13(9-10)16-7-5-11(15-2)6-8-16/h3-4,9,11,15H,5-8H2,1-2H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)-N-methylpiperidin-4-amine?
1-(2-bromo-5-methylphenyl)-N-methylpiperidin-4-amine has a molecular weight of 283.21 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)-N-methylpiperidin-4-amine is sourced from PubChem (CID 82757769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).