(E)-1-pyridin-2-yl-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine

C15H17N5 — CID 5336781

IUPAC(E)-1-pyridin-2-yl-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
SMILESC(=N/N1CCN(c2ccccn2)CC1)\c1ccccn1
InChIInChI=1S/C15H17N5/c1-3-7-16-14(5-1)13-18-20-11-9-19(10-12-20)15-6-2-4-8-17-15/h1-8,13H,9-12H2/b18-13+
InChIKeyADATUEGSQQGPNP-QGOAFFKASA-N
MW267.34 g/mol
LogP1.63
Rot. Bonds3

About (E)-1-pyridin-2-yl-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine

(E)-1-pyridin-2-yl-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine (PubChem CID 5336781) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is (E)-1-pyridin-2-yl-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name(E)-1-pyridin-2-yl-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
PubChem CID5336781
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name(E)-1-pyridin-2-yl-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
SMILESC(=N/N1CCN(c2ccccn2)CC1)\c1ccccn1
InChIInChI=1S/C15H17N5/c1-3-7-16-14(5-1)13-18-20-11-9-19(10-12-20)15-6-2-4-8-17-15/h1-8,13H,9-12H2/b18-13+
InChIKeyADATUEGSQQGPNP-QGOAFFKASA-N
XLogP1.63
TPSA44.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-pyridin-2-yl-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
The IUPAC name of (E)-1-pyridin-2-yl-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine (CID 5336781) is (E)-1-pyridin-2-yl-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine.
What is the SMILES notation for (E)-1-pyridin-2-yl-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
The canonical SMILES for (E)-1-pyridin-2-yl-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine is C(=N/N1CCN(c2ccccn2)CC1)\c1ccccn1.
What is the InChIKey of (E)-1-pyridin-2-yl-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
The InChIKey is ADATUEGSQQGPNP-QGOAFFKASA-N. The full InChI is InChI=1S/C15H17N5/c1-3-7-16-14(5-1)13-18-20-11-9-19(10-12-20)15-6-2-4-8-17-15/h1-8,13H,9-12H2/b18-13+.
What are the key properties of (E)-1-pyridin-2-yl-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
(E)-1-pyridin-2-yl-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine has a molecular weight of 267.34 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-pyridin-2-yl-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine is sourced from PubChem (CID 5336781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).