N-[(E)-[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]aniline

C18H22N4 — CID 171350851

IUPACN-[(E)-[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]aniline
SMILESCN1CCN(c2ccc(/C=N/Nc3ccccc3)cc2)CC1
InChIInChI=1S/C18H22N4/c1-21-11-13-22(14-12-21)18-9-7-16(8-10-18)15-19-20-17-5-3-2-4-6-17/h2-10,15,20H,11-14H2,1H3/b19-15+
InChIKeySHZWMGOYFVBFCQ-XDJHFCHBSA-N
MW294.40 g/mol
LogP2.88
Rot. Bonds4

About N-[(E)-[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]aniline

N-[(E)-[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]aniline (PubChem CID 171350851) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[(E)-[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[(E)-[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]aniline
PubChem CID171350851
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC NameN-[(E)-[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]aniline
SMILESCN1CCN(c2ccc(/C=N/Nc3ccccc3)cc2)CC1
InChIInChI=1S/C18H22N4/c1-21-11-13-22(14-12-21)18-9-7-16(8-10-18)15-19-20-17-5-3-2-4-6-17/h2-10,15,20H,11-14H2,1H3/b19-15+
InChIKeySHZWMGOYFVBFCQ-XDJHFCHBSA-N
XLogP2.88
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Benzaldehyde, 4-(diethylamino)-, 2,2-diphenylhydrazone
CID 92377
N-(2-Methylbenzylidene)-4-phenyl-1-piperazinamine
CID 5347767
N-(3-Methylbenzylidene)-4-phenyl-1-piperazinamine
CID 5347951
4-(Dimethylamino)benzaldehyde ((4-(dimethylamino)phenyl)methylene)hydrazone
CID 6863007
N-[(E)-(4-dimethylaminophenyl)methyleneamino]-2-(4-fluoroanilino)acetamide
CID 9557240
N-benzylidene-4-phenyl-1-piperazinamine
CID 5727501
1-benzyl-5-[(E)-(phenylhydrazinylidene)methyl]-4H-pyridine-3-carbonitrile
CID 6899047
4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-N,N-dimethylaniline
CID 9622517
4-(4-Morpholinyl)benzaldehyde (2-methylphenyl)hydrazone
CID 5336006
4-[4-(4-Carbamimidoylphenyl)piperazin-1-yl]benzenecarboximidamide
CID 480183
N-butyl-4-[4-[4-(N-butylcarbamimidoyl)phenyl]piperazin-1-yl]benzamidine
CID 3013108
N,N'-Dibutyl 4,4'-(1,4-piperazinediyl)bisbenzene carboximidamide
CID 10413899

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]aniline?
The IUPAC name of N-[(E)-[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]aniline (CID 171350851) is N-[(E)-[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[(E)-[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]aniline?
The canonical SMILES for N-[(E)-[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]aniline is CN1CCN(c2ccc(/C=N/Nc3ccccc3)cc2)CC1.
What is the InChIKey of N-[(E)-[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]aniline?
The InChIKey is SHZWMGOYFVBFCQ-XDJHFCHBSA-N. The full InChI is InChI=1S/C18H22N4/c1-21-11-13-22(14-12-21)18-9-7-16(8-10-18)15-19-20-17-5-3-2-4-6-17/h2-10,15,20H,11-14H2,1H3/b19-15+.
What are the key properties of N-[(E)-[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]aniline?
N-[(E)-[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]aniline has a molecular weight of 294.40 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]aniline is sourced from PubChem (CID 171350851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).