aniline;piperazine

C14H27N5 — CID 162139088

IUPACaniline;piperazine
SMILESC1CNCCN1.C1CNCCN1.Nc1ccccc1
InChIInChI=1S/C6H7N.2C4H10N2/c7-6-4-2-1-3-5-6;2*1-2-6-4-3-5-1/h1-5H,7H2;2*5-6H,1-4H2
InChIKeyZJROFWXDSZLSGL-UHFFFAOYSA-N
MW265.40 g/mol
LogP-0.37
Rot. Bonds

About aniline;piperazine

aniline;piperazine (PubChem CID 162139088) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is aniline;piperazine.

Molecular Properties

Compound Nameaniline;piperazine
PubChem CID162139088
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Nameaniline;piperazine
SMILESC1CNCCN1.C1CNCCN1.Nc1ccccc1
InChIInChI=1S/C6H7N.2C4H10N2/c7-6-4-2-1-3-5-6;2*1-2-6-4-3-5-1/h1-5H,7H2;2*5-6H,1-4H2
InChIKeyZJROFWXDSZLSGL-UHFFFAOYSA-N
XLogP-0.37
TPSA74.14 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 5-0.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze aniline;piperazine 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 aniline;piperazine?
The IUPAC name of aniline;piperazine (CID 162139088) is aniline;piperazine.
What is the SMILES notation for aniline;piperazine?
The canonical SMILES for aniline;piperazine is C1CNCCN1.C1CNCCN1.Nc1ccccc1.
What is the InChIKey of aniline;piperazine?
The InChIKey is ZJROFWXDSZLSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.2C4H10N2/c7-6-4-2-1-3-5-6;2*1-2-6-4-3-5-1/h1-5H,7H2;2*5-6H,1-4H2.
What are the key properties of aniline;piperazine?
aniline;piperazine has a molecular weight of 265.40 g/mol, XLogP of -0.37, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;piperazine is sourced from PubChem (CID 162139088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).