4-bromo-2-N-piperidin-1-ylbenzene-1,2-diamine

C11H16BrN3 — CID 83003121

IUPAC4-bromo-2-N-piperidin-1-ylbenzene-1,2-diamine
SMILESNc1ccc(Br)cc1NN1CCCCC1
InChIInChI=1S/C11H16BrN3/c12-9-4-5-10(13)11(8-9)14-15-6-2-1-3-7-15/h4-5,8,14H,1-3,6-7,13H2
InChIKeyAGDPFNWGUAEETE-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.84
Rot. Bonds2

About 4-bromo-2-N-piperidin-1-ylbenzene-1,2-diamine

4-bromo-2-N-piperidin-1-ylbenzene-1,2-diamine (PubChem CID 83003121) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 4-bromo-2-N-piperidin-1-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-piperidin-1-ylbenzene-1,2-diamine
PubChem CID83003121
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name4-bromo-2-N-piperidin-1-ylbenzene-1,2-diamine
SMILESNc1ccc(Br)cc1NN1CCCCC1
InChIInChI=1S/C11H16BrN3/c12-9-4-5-10(13)11(8-9)14-15-6-2-1-3-7-15/h4-5,8,14H,1-3,6-7,13H2
InChIKeyAGDPFNWGUAEETE-UHFFFAOYSA-N
XLogP2.84
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-bromo-2-N-piperidin-1-ylbenzene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-piperidin-1-ylbenzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-piperidin-1-ylbenzene-1,2-diamine (CID 83003121) is 4-bromo-2-N-piperidin-1-ylbenzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-piperidin-1-ylbenzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-piperidin-1-ylbenzene-1,2-diamine is Nc1ccc(Br)cc1NN1CCCCC1.
What is the InChIKey of 4-bromo-2-N-piperidin-1-ylbenzene-1,2-diamine?
The InChIKey is AGDPFNWGUAEETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c12-9-4-5-10(13)11(8-9)14-15-6-2-1-3-7-15/h4-5,8,14H,1-3,6-7,13H2.
What are the key properties of 4-bromo-2-N-piperidin-1-ylbenzene-1,2-diamine?
4-bromo-2-N-piperidin-1-ylbenzene-1,2-diamine has a molecular weight of 270.17 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-N-piperidin-1-ylbenzene-1,2-diamine is sourced from PubChem (CID 83003121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).