(E)-N-ethoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine

C20H26N4O — CID 11256262

IUPAC(E)-N-ethoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
SMILESCCO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C20H26N4O/c1-2-25-22-19(18-8-4-3-5-9-18)11-13-23-14-16-24(17-15-23)20-10-6-7-12-21-20/h3-10,12H,2,11,13-17H2,1H3/b22-19+
InChIKeyRBMOPDXMDCXDDP-ZBJSNUHESA-N
MW338.46 g/mol
LogP3.03
Rot. Bonds7

About (E)-N-ethoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine

(E)-N-ethoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine (PubChem CID 11256262) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is (E)-N-ethoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine.

Molecular Properties

Compound Name(E)-N-ethoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
PubChem CID11256262
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name(E)-N-ethoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
SMILESCCO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C20H26N4O/c1-2-25-22-19(18-8-4-3-5-9-18)11-13-23-14-16-24(17-15-23)20-10-6-7-12-21-20/h3-10,12H,2,11,13-17H2,1H3/b22-19+
InChIKeyRBMOPDXMDCXDDP-ZBJSNUHESA-N
XLogP3.03
TPSA40.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
The IUPAC name of (E)-N-ethoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine (CID 11256262) is (E)-N-ethoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine.
What is the SMILES notation for (E)-N-ethoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
The canonical SMILES for (E)-N-ethoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine is CCO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccccc1.
What is the InChIKey of (E)-N-ethoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
The InChIKey is RBMOPDXMDCXDDP-ZBJSNUHESA-N. The full InChI is InChI=1S/C20H26N4O/c1-2-25-22-19(18-8-4-3-5-9-18)11-13-23-14-16-24(17-15-23)20-10-6-7-12-21-20/h3-10,12H,2,11,13-17H2,1H3/b22-19+.
What are the key properties of (E)-N-ethoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
(E)-N-ethoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine has a molecular weight of 338.46 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine is sourced from PubChem (CID 11256262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).