N-methyl-4-[(E)-(4-methylpiperazin-1-yl)iminomethyl]-N-phenylaniline

C19H24N4 — CID 6903711

IUPACN-methyl-4-[(E)-(4-methylpiperazin-1-yl)iminomethyl]-N-phenylaniline
SMILESCN1CCN(/N=C/c2ccc(N(C)c3ccccc3)cc2)CC1
InChIInChI=1S/C19H24N4/c1-21-12-14-23(15-13-21)20-16-17-8-10-19(11-9-17)22(2)18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3/b20-16+
InChIKeyBNRPZBZQARCTKQ-CAPFRKAQSA-N
MW308.43 g/mol
LogP3.04
Rot. Bonds4

About N-methyl-4-[(E)-(4-methylpiperazin-1-yl)iminomethyl]-N-phenylaniline

N-methyl-4-[(E)-(4-methylpiperazin-1-yl)iminomethyl]-N-phenylaniline (PubChem CID 6903711) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-methyl-4-[(E)-(4-methylpiperazin-1-yl)iminomethyl]-N-phenylaniline.

Molecular Properties

Compound NameN-methyl-4-[(E)-(4-methylpiperazin-1-yl)iminomethyl]-N-phenylaniline
PubChem CID6903711
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC NameN-methyl-4-[(E)-(4-methylpiperazin-1-yl)iminomethyl]-N-phenylaniline
SMILESCN1CCN(/N=C/c2ccc(N(C)c3ccccc3)cc2)CC1
InChIInChI=1S/C19H24N4/c1-21-12-14-23(15-13-21)20-16-17-8-10-19(11-9-17)22(2)18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3/b20-16+
InChIKeyBNRPZBZQARCTKQ-CAPFRKAQSA-N
XLogP3.04
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.04
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

1-Benzyl-4-phenylpiperazine
CID 511484
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-[p-(Dimethylamino)benzylidene]aniline
CID 234157
4-[(1Z)-2-(2-nitrophenyl)-1-azavinyl]-1-phenylpiperazine
CID 5402580
N-benzylidene-4-phenyl-1-piperazinamine
CID 5727501
4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-N,N-dimethylaniline
CID 9622517
4-[4-(4-Carbamimidoylphenyl)piperazin-1-yl]benzenecarboximidamide
CID 480183
Benzenamine, N,N-dimethyl-4-[[(4-methylphenyl)imino]methyl]-
CID 915196
N-butyl-4-[4-[4-(N-butylcarbamimidoyl)phenyl]piperazin-1-yl]benzamidine
CID 3013108

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(E)-(4-methylpiperazin-1-yl)iminomethyl]-N-phenylaniline?
The IUPAC name of N-methyl-4-[(E)-(4-methylpiperazin-1-yl)iminomethyl]-N-phenylaniline (CID 6903711) is N-methyl-4-[(E)-(4-methylpiperazin-1-yl)iminomethyl]-N-phenylaniline.
What is the SMILES notation for N-methyl-4-[(E)-(4-methylpiperazin-1-yl)iminomethyl]-N-phenylaniline?
The canonical SMILES for N-methyl-4-[(E)-(4-methylpiperazin-1-yl)iminomethyl]-N-phenylaniline is CN1CCN(/N=C/c2ccc(N(C)c3ccccc3)cc2)CC1.
What is the InChIKey of N-methyl-4-[(E)-(4-methylpiperazin-1-yl)iminomethyl]-N-phenylaniline?
The InChIKey is BNRPZBZQARCTKQ-CAPFRKAQSA-N. The full InChI is InChI=1S/C19H24N4/c1-21-12-14-23(15-13-21)20-16-17-8-10-19(11-9-17)22(2)18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3/b20-16+.
What are the key properties of N-methyl-4-[(E)-(4-methylpiperazin-1-yl)iminomethyl]-N-phenylaniline?
N-methyl-4-[(E)-(4-methylpiperazin-1-yl)iminomethyl]-N-phenylaniline has a molecular weight of 308.43 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(E)-(4-methylpiperazin-1-yl)iminomethyl]-N-phenylaniline is sourced from PubChem (CID 6903711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).