2-(2-piperazin-1-ylphenyl)aniline

C16H19N3 — CID 118221589

IUPAC2-(2-piperazin-1-ylphenyl)aniline
SMILESNc1ccccc1-c1ccccc1N1CCNCC1
InChIInChI=1S/C16H19N3/c17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)19-11-9-18-10-12-19/h1-8,18H,9-12,17H2
InChIKeyNXSNPFBQLSLTTK-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.35
Rot. Bonds2

About 2-(2-piperazin-1-ylphenyl)aniline

2-(2-piperazin-1-ylphenyl)aniline (PubChem CID 118221589) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(2-piperazin-1-ylphenyl)aniline.

Molecular Properties

Compound Name2-(2-piperazin-1-ylphenyl)aniline
PubChem CID118221589
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2-(2-piperazin-1-ylphenyl)aniline
SMILESNc1ccccc1-c1ccccc1N1CCNCC1
InChIInChI=1S/C16H19N3/c17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)19-11-9-18-10-12-19/h1-8,18H,9-12,17H2
InChIKeyNXSNPFBQLSLTTK-UHFFFAOYSA-N
XLogP2.35
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-piperazin-1-ylphenyl)aniline?
The IUPAC name of 2-(2-piperazin-1-ylphenyl)aniline (CID 118221589) is 2-(2-piperazin-1-ylphenyl)aniline.
What is the SMILES notation for 2-(2-piperazin-1-ylphenyl)aniline?
The canonical SMILES for 2-(2-piperazin-1-ylphenyl)aniline is Nc1ccccc1-c1ccccc1N1CCNCC1.
What is the InChIKey of 2-(2-piperazin-1-ylphenyl)aniline?
The InChIKey is NXSNPFBQLSLTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)19-11-9-18-10-12-19/h1-8,18H,9-12,17H2.
What are the key properties of 2-(2-piperazin-1-ylphenyl)aniline?
2-(2-piperazin-1-ylphenyl)aniline has a molecular weight of 253.35 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperazin-1-ylphenyl)aniline is sourced from PubChem (CID 118221589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).