(E)-N-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanimine

C17H21N3O — CID 5342721

IUPAC(E)-N-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanimine
SMILESC/C(=N\N1CCN(Cc2ccccc2)CC1)c1ccco1
InChIInChI=1S/C17H21N3O/c1-15(17-8-5-13-21-17)18-20-11-9-19(10-12-20)14-16-6-3-2-4-7-16/h2-8,13H,9-12,14H2,1H3/b18-15+
InChIKeyRUEZBTOCQSOPAR-OBGWFSINSA-N
MW283.38 g/mol
LogP2.82
Rot. Bonds4

About (E)-N-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanimine

(E)-N-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanimine (PubChem CID 5342721) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is (E)-N-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanimine.

Molecular Properties

Compound Name(E)-N-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanimine
PubChem CID5342721
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name(E)-N-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanimine
SMILESC/C(=N\N1CCN(Cc2ccccc2)CC1)c1ccco1
InChIInChI=1S/C17H21N3O/c1-15(17-8-5-13-21-17)18-20-11-9-19(10-12-20)14-16-6-3-2-4-7-16/h2-8,13H,9-12,14H2,1H3/b18-15+
InChIKeyRUEZBTOCQSOPAR-OBGWFSINSA-N
XLogP2.82
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanimine?
The IUPAC name of (E)-N-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanimine (CID 5342721) is (E)-N-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanimine.
What is the SMILES notation for (E)-N-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanimine?
The canonical SMILES for (E)-N-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanimine is C/C(=N\N1CCN(Cc2ccccc2)CC1)c1ccco1.
What is the InChIKey of (E)-N-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanimine?
The InChIKey is RUEZBTOCQSOPAR-OBGWFSINSA-N. The full InChI is InChI=1S/C17H21N3O/c1-15(17-8-5-13-21-17)18-20-11-9-19(10-12-20)14-16-6-3-2-4-7-16/h2-8,13H,9-12,14H2,1H3/b18-15+.
What are the key properties of (E)-N-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanimine?
(E)-N-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanimine has a molecular weight of 283.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanimine is sourced from PubChem (CID 5342721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).