(2-piperazin-1-ylphenyl)methanamine

C11H17N3 — CID 11041581

IUPAC(2-piperazin-1-ylphenyl)methanamine
SMILESNCc1ccccc1N1CCNCC1
InChIInChI=1S/C11H17N3/c12-9-10-3-1-2-4-11(10)14-7-5-13-6-8-14/h1-4,13H,5-9,12H2
InChIKeyXWAJJQBDGFSQLE-UHFFFAOYSA-N
MW191.28 g/mol
LogP0.55
Rot. Bonds2

About (2-piperazin-1-ylphenyl)methanamine

(2-piperazin-1-ylphenyl)methanamine (PubChem CID 11041581) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (2-piperazin-1-ylphenyl)methanamine.

Molecular Properties

Compound Name(2-piperazin-1-ylphenyl)methanamine
PubChem CID11041581
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(2-piperazin-1-ylphenyl)methanamine
SMILESNCc1ccccc1N1CCNCC1
InChIInChI=1S/C11H17N3/c12-9-10-3-1-2-4-11(10)14-7-5-13-6-8-14/h1-4,13H,5-9,12H2
InChIKeyXWAJJQBDGFSQLE-UHFFFAOYSA-N
XLogP0.55
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2-piperazin-1-ylphenyl)methanamine 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 (2-piperazin-1-ylphenyl)methanamine?
The IUPAC name of (2-piperazin-1-ylphenyl)methanamine (CID 11041581) is (2-piperazin-1-ylphenyl)methanamine.
What is the SMILES notation for (2-piperazin-1-ylphenyl)methanamine?
The canonical SMILES for (2-piperazin-1-ylphenyl)methanamine is NCc1ccccc1N1CCNCC1.
What is the InChIKey of (2-piperazin-1-ylphenyl)methanamine?
The InChIKey is XWAJJQBDGFSQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c12-9-10-3-1-2-4-11(10)14-7-5-13-6-8-14/h1-4,13H,5-9,12H2.
What are the key properties of (2-piperazin-1-ylphenyl)methanamine?
(2-piperazin-1-ylphenyl)methanamine has a molecular weight of 191.28 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-piperazin-1-ylphenyl)methanamine is sourced from PubChem (CID 11041581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).