N,N-dimethyl-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]aniline

C18H23N5 — CID 5342813

IUPACN,N-dimethyl-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]aniline
SMILESCN(C)c1ccc(/C=N/N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C18H23N5/c1-21(2)17-8-6-16(7-9-17)15-20-23-13-11-22(12-14-23)18-5-3-4-10-19-18/h3-10,15H,11-14H2,1-2H3/b20-15+
InChIKeyIQDQGFAOGRFRBO-HMMYKYKNSA-N
MW309.42 g/mol
LogP2.30
Rot. Bonds4

About N,N-dimethyl-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]aniline

N,N-dimethyl-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]aniline (PubChem CID 5342813) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is N,N-dimethyl-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]aniline
PubChem CID5342813
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC NameN,N-dimethyl-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]aniline
SMILESCN(C)c1ccc(/C=N/N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C18H23N5/c1-21(2)17-8-6-16(7-9-17)15-20-23-13-11-22(12-14-23)18-5-3-4-10-19-18/h3-10,15H,11-14H2,1-2H3/b20-15+
InChIKeyIQDQGFAOGRFRBO-HMMYKYKNSA-N
XLogP2.30
TPSA34.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 N,N-dimethyl-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]aniline (CID 5342813) is N,N-dimethyl-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]aniline is CN(C)c1ccc(/C=N/N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of N,N-dimethyl-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]aniline?
The InChIKey is IQDQGFAOGRFRBO-HMMYKYKNSA-N. The full InChI is InChI=1S/C18H23N5/c1-21(2)17-8-6-16(7-9-17)15-20-23-13-11-22(12-14-23)18-5-3-4-10-19-18/h3-10,15H,11-14H2,1-2H3/b20-15+.
What are the key properties of N,N-dimethyl-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]aniline?
N,N-dimethyl-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]aniline has a molecular weight of 309.42 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]aniline is sourced from PubChem (CID 5342813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).