(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-2-ylethanimine

C16H18ClN3S — CID 6953208

IUPAC(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-2-ylethanimine
SMILESC/C(=N\N1CCN(c2ccc(Cl)cc2)CC1)c1cccs1
InChIInChI=1S/C16H18ClN3S/c1-13(16-3-2-12-21-16)18-20-10-8-19(9-11-20)15-6-4-14(17)5-7-15/h2-7,12H,8-11H2,1H3/b18-13+
InChIKeyUFOZNJRHVQOLAD-QGOAFFKASA-N
MW319.86 g/mol
LogP3.95
Rot. Bonds3

About (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-2-ylethanimine

(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-2-ylethanimine (PubChem CID 6953208) has the molecular formula C16H18ClN3S and a molecular weight of 319.86 g/mol. Its IUPAC name is (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-2-ylethanimine.

Molecular Properties

Compound Name(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-2-ylethanimine
PubChem CID6953208
Molecular FormulaC16H18ClN3S
Molecular Weight319.86 g/mol
Exact Mass319.09
IUPAC Name(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-2-ylethanimine
SMILESC/C(=N\N1CCN(c2ccc(Cl)cc2)CC1)c1cccs1
InChIInChI=1S/C16H18ClN3S/c1-13(16-3-2-12-21-16)18-20-10-8-19(9-11-20)15-6-4-14(17)5-7-15/h2-7,12H,8-11H2,1H3/b18-13+
InChIKeyUFOZNJRHVQOLAD-QGOAFFKASA-N
XLogP3.95
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 53.95
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-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-2-ylethanimine?
The IUPAC name of (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-2-ylethanimine (CID 6953208) is (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-2-ylethanimine.
What is the SMILES notation for (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-2-ylethanimine?
The canonical SMILES for (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-2-ylethanimine is C/C(=N\N1CCN(c2ccc(Cl)cc2)CC1)c1cccs1.
What is the InChIKey of (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-2-ylethanimine?
The InChIKey is UFOZNJRHVQOLAD-QGOAFFKASA-N. The full InChI is InChI=1S/C16H18ClN3S/c1-13(16-3-2-12-21-16)18-20-10-8-19(9-11-20)15-6-4-14(17)5-7-15/h2-7,12H,8-11H2,1H3/b18-13+.
What are the key properties of (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-2-ylethanimine?
(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-2-ylethanimine has a molecular weight of 319.86 g/mol, XLogP of 3.95, 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-thiophen-2-ylethanimine is sourced from PubChem (CID 6953208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).