5-bromo-3-chloro-2-piperidin-1-ylaniline

C11H14BrClN2 — CID 50879529

IUPAC5-bromo-3-chloro-2-piperidin-1-ylaniline
SMILESNc1cc(Br)cc(Cl)c1N1CCCCC1
InChIInChI=1S/C11H14BrClN2/c12-8-6-9(13)11(10(14)7-8)15-4-2-1-3-5-15/h6-7H,1-5,14H2
InChIKeyBJADULBHLOGZEY-UHFFFAOYSA-N
MW289.60 g/mol
LogP3.67
Rot. Bonds1

About 5-bromo-3-chloro-2-piperidin-1-ylaniline

5-bromo-3-chloro-2-piperidin-1-ylaniline (PubChem CID 50879529) has the molecular formula C11H14BrClN2 and a molecular weight of 289.60 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-piperidin-1-ylaniline.

Molecular Properties

Compound Name5-bromo-3-chloro-2-piperidin-1-ylaniline
PubChem CID50879529
Molecular FormulaC11H14BrClN2
Molecular Weight289.60 g/mol
Exact Mass288.00
IUPAC Name5-bromo-3-chloro-2-piperidin-1-ylaniline
SMILESNc1cc(Br)cc(Cl)c1N1CCCCC1
InChIInChI=1S/C11H14BrClN2/c12-8-6-9(13)11(10(14)7-8)15-4-2-1-3-5-15/h6-7H,1-5,14H2
InChIKeyBJADULBHLOGZEY-UHFFFAOYSA-N
XLogP3.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.60
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-piperidin-1-ylaniline?
The IUPAC name of 5-bromo-3-chloro-2-piperidin-1-ylaniline (CID 50879529) is 5-bromo-3-chloro-2-piperidin-1-ylaniline.
What is the SMILES notation for 5-bromo-3-chloro-2-piperidin-1-ylaniline?
The canonical SMILES for 5-bromo-3-chloro-2-piperidin-1-ylaniline is Nc1cc(Br)cc(Cl)c1N1CCCCC1.
What is the InChIKey of 5-bromo-3-chloro-2-piperidin-1-ylaniline?
The InChIKey is BJADULBHLOGZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2/c12-8-6-9(13)11(10(14)7-8)15-4-2-1-3-5-15/h6-7H,1-5,14H2.
What are the key properties of 5-bromo-3-chloro-2-piperidin-1-ylaniline?
5-bromo-3-chloro-2-piperidin-1-ylaniline has a molecular weight of 289.60 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-piperidin-1-ylaniline is sourced from PubChem (CID 50879529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).