4-[(E)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-N,N-diethylaniline

C22H29ClN4 — CID 6861834

IUPAC4-[(E)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C22H29ClN4/c1-3-26(4-2)21-11-9-19(10-12-21)17-24-27-15-13-25(14-16-27)18-20-7-5-6-8-22(20)23/h5-12,17H,3-4,13-16,18H2,1-2H3/b24-17+
InChIKeyIEFBPLMVUXKBJU-JJIBRWJFSA-N
MW384.96 g/mol
LogP4.34
Rot. Bonds7

About 4-[(E)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-N,N-diethylaniline

4-[(E)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-N,N-diethylaniline (PubChem CID 6861834) has the molecular formula C22H29ClN4 and a molecular weight of 384.96 g/mol. Its IUPAC name is 4-[(E)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[(E)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-N,N-diethylaniline
PubChem CID6861834
Molecular FormulaC22H29ClN4
Molecular Weight384.96 g/mol
Exact Mass384.21
IUPAC Name4-[(E)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C22H29ClN4/c1-3-26(4-2)21-11-9-19(10-12-21)17-24-27-15-13-25(14-16-27)18-20-7-5-6-8-22(20)23/h5-12,17H,3-4,13-16,18H2,1-2H3/b24-17+
InChIKeyIEFBPLMVUXKBJU-JJIBRWJFSA-N
XLogP4.34
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.96
LogP ≤ 54.34
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 4-[(E)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-N,N-diethylaniline?
The IUPAC name of 4-[(E)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-N,N-diethylaniline (CID 6861834) is 4-[(E)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[(E)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-N,N-diethylaniline?
The canonical SMILES for 4-[(E)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-N,N-diethylaniline is CCN(CC)c1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1.
What is the InChIKey of 4-[(E)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-N,N-diethylaniline?
The InChIKey is IEFBPLMVUXKBJU-JJIBRWJFSA-N. The full InChI is InChI=1S/C22H29ClN4/c1-3-26(4-2)21-11-9-19(10-12-21)17-24-27-15-13-25(14-16-27)18-20-7-5-6-8-22(20)23/h5-12,17H,3-4,13-16,18H2,1-2H3/b24-17+.
What are the key properties of 4-[(E)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-N,N-diethylaniline?
4-[(E)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-N,N-diethylaniline has a molecular weight of 384.96 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-N,N-diethylaniline is sourced from PubChem (CID 6861834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).