(E)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)methanimine

C18H23N3O — CID 6873155

IUPAC(E)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)methanimine
SMILESCc1ccc(CN2CCN(/N=C/c3ccco3)CC2)c(C)c1
InChIInChI=1S/C18H23N3O/c1-15-5-6-17(16(2)12-15)14-20-7-9-21(10-8-20)19-13-18-4-3-11-22-18/h3-6,11-13H,7-10,14H2,1-2H3/b19-13+
InChIKeyBKWYQSOZWDFKSP-CPNJWEJPSA-N
MW297.40 g/mol
LogP3.05
Rot. Bonds4

About (E)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)methanimine

(E)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)methanimine (PubChem CID 6873155) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (E)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)methanimine.

Molecular Properties

Compound Name(E)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)methanimine
PubChem CID6873155
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(E)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)methanimine
SMILESCc1ccc(CN2CCN(/N=C/c3ccco3)CC2)c(C)c1
InChIInChI=1S/C18H23N3O/c1-15-5-6-17(16(2)12-15)14-20-7-9-21(10-8-20)19-13-18-4-3-11-22-18/h3-6,11-13H,7-10,14H2,1-2H3/b19-13+
InChIKeyBKWYQSOZWDFKSP-CPNJWEJPSA-N
XLogP3.05
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)methanimine?
The IUPAC name of (E)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)methanimine (CID 6873155) is (E)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)methanimine.
What is the SMILES notation for (E)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)methanimine?
The canonical SMILES for (E)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)methanimine is Cc1ccc(CN2CCN(/N=C/c3ccco3)CC2)c(C)c1.
What is the InChIKey of (E)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)methanimine?
The InChIKey is BKWYQSOZWDFKSP-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H23N3O/c1-15-5-6-17(16(2)12-15)14-20-7-9-21(10-8-20)19-13-18-4-3-11-22-18/h3-6,11-13H,7-10,14H2,1-2H3/b19-13+.
What are the key properties of (E)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)methanimine?
(E)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)methanimine has a molecular weight of 297.40 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)methanimine is sourced from PubChem (CID 6873155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).