(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine

C16H18ClN3O — CID 6861898

IUPAC(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine
SMILESCc1ccc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)o1
InChIInChI=1S/C16H18ClN3O/c1-13-2-7-16(21-13)12-18-20-10-8-19(9-11-20)15-5-3-14(17)4-6-15/h2-7,12H,8-11H2,1H3/b18-12+
InChIKeyHGPCPDZFLVJYSG-LDADJPATSA-N
MW303.79 g/mol
LogP3.40
Rot. Bonds3

About (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine

(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine (PubChem CID 6861898) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine.

Molecular Properties

Compound Name(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine
PubChem CID6861898
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine
SMILESCc1ccc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)o1
InChIInChI=1S/C16H18ClN3O/c1-13-2-7-16(21-13)12-18-20-10-8-19(9-11-20)15-5-3-14(17)4-6-15/h2-7,12H,8-11H2,1H3/b18-12+
InChIKeyHGPCPDZFLVJYSG-LDADJPATSA-N
XLogP3.40
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.40
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-(4-chlorophenyl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine?
The IUPAC name of (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine (CID 6861898) is (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine.
What is the SMILES notation for (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine?
The canonical SMILES for (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine is Cc1ccc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)o1.
What is the InChIKey of (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine?
The InChIKey is HGPCPDZFLVJYSG-LDADJPATSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-13-2-7-16(21-13)12-18-20-10-8-19(9-11-20)15-5-3-14(17)4-6-15/h2-7,12H,8-11H2,1H3/b18-12+.
What are the key properties of (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine?
(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine has a molecular weight of 303.79 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine is sourced from PubChem (CID 6861898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).