4-[[4-(4-ethylpiperazin-1-yl)phenyl]iminomethyl]-N,N-dimethylaniline

C21H28N4 — CID 830479

IUPAC4-[[4-(4-ethylpiperazin-1-yl)phenyl]iminomethyl]-N,N-dimethylaniline
SMILESCCN1CCN(c2ccc(/N=C/c3ccc(N(C)C)cc3)cc2)CC1
InChIInChI=1S/C21H28N4/c1-4-24-13-15-25(16-14-24)21-11-7-19(8-12-21)22-17-18-5-9-20(10-6-18)23(2)3/h5-12,17H,4,13-16H2,1-3H3/b22-17+
InChIKeyWGHPIOCEDVVJMI-OQKWZONESA-N
MW336.48 g/mol
LogP3.65
Rot. Bonds5

About 4-[[4-(4-ethylpiperazin-1-yl)phenyl]iminomethyl]-N,N-dimethylaniline

4-[[4-(4-ethylpiperazin-1-yl)phenyl]iminomethyl]-N,N-dimethylaniline (PubChem CID 830479) has the molecular formula C21H28N4 and a molecular weight of 336.48 g/mol. Its IUPAC name is 4-[[4-(4-ethylpiperazin-1-yl)phenyl]iminomethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[4-(4-ethylpiperazin-1-yl)phenyl]iminomethyl]-N,N-dimethylaniline
PubChem CID830479
Molecular FormulaC21H28N4
Molecular Weight336.48 g/mol
Exact Mass336.23
IUPAC Name4-[[4-(4-ethylpiperazin-1-yl)phenyl]iminomethyl]-N,N-dimethylaniline
SMILESCCN1CCN(c2ccc(/N=C/c3ccc(N(C)C)cc3)cc2)CC1
InChIInChI=1S/C21H28N4/c1-4-24-13-15-25(16-14-24)21-11-7-19(8-12-21)22-17-18-5-9-20(10-6-18)23(2)3/h5-12,17H,4,13-16H2,1-3H3/b22-17+
InChIKeyWGHPIOCEDVVJMI-OQKWZONESA-N
XLogP3.65
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-ethylpiperazin-1-yl)phenyl]iminomethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[4-(4-ethylpiperazin-1-yl)phenyl]iminomethyl]-N,N-dimethylaniline (CID 830479) is 4-[[4-(4-ethylpiperazin-1-yl)phenyl]iminomethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[4-(4-ethylpiperazin-1-yl)phenyl]iminomethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[4-(4-ethylpiperazin-1-yl)phenyl]iminomethyl]-N,N-dimethylaniline is CCN1CCN(c2ccc(/N=C/c3ccc(N(C)C)cc3)cc2)CC1.
What is the InChIKey of 4-[[4-(4-ethylpiperazin-1-yl)phenyl]iminomethyl]-N,N-dimethylaniline?
The InChIKey is WGHPIOCEDVVJMI-OQKWZONESA-N. The full InChI is InChI=1S/C21H28N4/c1-4-24-13-15-25(16-14-24)21-11-7-19(8-12-21)22-17-18-5-9-20(10-6-18)23(2)3/h5-12,17H,4,13-16H2,1-3H3/b22-17+.
What are the key properties of 4-[[4-(4-ethylpiperazin-1-yl)phenyl]iminomethyl]-N,N-dimethylaniline?
4-[[4-(4-ethylpiperazin-1-yl)phenyl]iminomethyl]-N,N-dimethylaniline has a molecular weight of 336.48 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-ethylpiperazin-1-yl)phenyl]iminomethyl]-N,N-dimethylaniline is sourced from PubChem (CID 830479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).