4-[(4-benzylpiperazin-1-yl)iminomethyl]-N,N-diethylaniline

C22H30N4 — CID 1110798

IUPAC4-[(4-benzylpiperazin-1-yl)iminomethyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C=NN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H30N4/c1-3-25(4-2)22-12-10-20(11-13-22)18-23-26-16-14-24(15-17-26)19-21-8-6-5-7-9-21/h5-13,18H,3-4,14-17,19H2,1-2H3
InChIKeyIMZIFRKFRVCUCI-UHFFFAOYSA-N
MW350.51 g/mol
LogP3.68
Rot. Bonds7

About 4-[(4-benzylpiperazin-1-yl)iminomethyl]-N,N-diethylaniline

4-[(4-benzylpiperazin-1-yl)iminomethyl]-N,N-diethylaniline (PubChem CID 1110798) has the molecular formula C22H30N4 and a molecular weight of 350.51 g/mol. Its IUPAC name is 4-[(4-benzylpiperazin-1-yl)iminomethyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[(4-benzylpiperazin-1-yl)iminomethyl]-N,N-diethylaniline
PubChem CID1110798
Molecular FormulaC22H30N4
Molecular Weight350.51 g/mol
Exact Mass350.25
IUPAC Name4-[(4-benzylpiperazin-1-yl)iminomethyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C=NN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H30N4/c1-3-25(4-2)22-12-10-20(11-13-22)18-23-26-16-14-24(15-17-26)19-21-8-6-5-7-9-21/h5-13,18H,3-4,14-17,19H2,1-2H3
InChIKeyIMZIFRKFRVCUCI-UHFFFAOYSA-N
XLogP3.68
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.68
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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Related Compounds

N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine
CID 726928
N-benzyl-N-ethyl-4-[(E)-(4-methylpiperazin-1-yl)iminomethyl]aniline
CID 6901390
(E)-N-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)methanimine
CID 5343052
N-(4-benzylpiperazin-1-yl)-1-pyridin-4-ylmethanimine;hydrochloride
CID 2868959
(E)-N-(4-benzylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine
CID 7387954
N-(4-benzylpiperazin-1-yl)-1-(4-nitrophenyl)methanimine
CID 781474
(Z)-N-(4-benzylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)methanimine
CID 5413985
N,N-diethyl-4-[(4-ethylpiperazin-1-yl)methyl]aniline
CID 782564
(E)-N-(4-benzylpiperazin-1-yl)-1-(5-methylfuran-2-yl)methanimine;hydrochloride
CID 56642896
N-(4-benzylpiperazin-1-yl)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanimine
CID 2322272
(E)-N-(4-benzylpiperazin-1-yl)-1-(2-fluorophenyl)methanimine
CID 5342676
N-(4-benzylpiperazin-1-yl)-1-(2-ethoxyphenyl)methanimine chloride
CID 53351898

Frequently Asked Questions

What is the IUPAC name of 4-[(4-benzylpiperazin-1-yl)iminomethyl]-N,N-diethylaniline?
The IUPAC name of 4-[(4-benzylpiperazin-1-yl)iminomethyl]-N,N-diethylaniline (CID 1110798) is 4-[(4-benzylpiperazin-1-yl)iminomethyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[(4-benzylpiperazin-1-yl)iminomethyl]-N,N-diethylaniline?
The canonical SMILES for 4-[(4-benzylpiperazin-1-yl)iminomethyl]-N,N-diethylaniline is CCN(CC)c1ccc(C=NN2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[(4-benzylpiperazin-1-yl)iminomethyl]-N,N-diethylaniline?
The InChIKey is IMZIFRKFRVCUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4/c1-3-25(4-2)22-12-10-20(11-13-22)18-23-26-16-14-24(15-17-26)19-21-8-6-5-7-9-21/h5-13,18H,3-4,14-17,19H2,1-2H3.
What are the key properties of 4-[(4-benzylpiperazin-1-yl)iminomethyl]-N,N-diethylaniline?
4-[(4-benzylpiperazin-1-yl)iminomethyl]-N,N-diethylaniline has a molecular weight of 350.51 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-benzylpiperazin-1-yl)iminomethyl]-N,N-diethylaniline is sourced from PubChem (CID 1110798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).