N-(4-methoxyphenyl)-1-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]methanimine

C19H24N3O+ — CID 6926327

IUPACN-(4-methoxyphenyl)-1-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]methanimine
SMILESCOc1ccc(/N=C/c2ccccc2N2CC[NH+](C)CC2)cc1
InChIInChI=1S/C19H23N3O/c1-21-11-13-22(14-12-21)19-6-4-3-5-16(19)15-20-17-7-9-18(23-2)10-8-17/h3-10,15H,11-14H2,1-2H3/p+1/b20-15+
InChIKeyPDZIAYMPHXDGHX-HMMYKYKNSA-O
MW310.42 g/mol
LogP1.78
Rot. Bonds4

About N-(4-methoxyphenyl)-1-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]methanimine

N-(4-methoxyphenyl)-1-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]methanimine (PubChem CID 6926327) has the molecular formula C19H24N3O+ and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]methanimine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]methanimine
PubChem CID6926327
Molecular FormulaC19H24N3O+
Molecular Weight310.42 g/mol
Exact Mass310.19
IUPAC NameN-(4-methoxyphenyl)-1-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]methanimine
SMILESCOc1ccc(/N=C/c2ccccc2N2CC[NH+](C)CC2)cc1
InChIInChI=1S/C19H23N3O/c1-21-11-13-22(14-12-21)19-6-4-3-5-16(19)15-20-17-7-9-18(23-2)10-8-17/h3-10,15H,11-14H2,1-2H3/p+1/b20-15+
InChIKeyPDZIAYMPHXDGHX-HMMYKYKNSA-O
XLogP1.78
TPSA29.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,6-bis[(4-methoxyphenyl)iminomethyl]benzene-1,2-diol
CID 136775481
1-(2-ethoxyphenyl)-N-(4-methoxyphenyl)methanimine
CID 693656
N-(4-methoxyphenyl)-1-(2-nitrophenyl)methanimine
CID 520164
1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine
CID 126111922
2-methoxy-6-[[4-(4-methoxyanilino)phenyl]iminomethyl]phenol
CID 135774276
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methoxyphenyl)methanimine
CID 126143320
1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-(4-piperidin-1-ylphenyl)methanimine
CID 23966319
6-[3-[bis[(4-methoxyphenyl)methyl]amino]sulfanylazetidin-1-yl]-3-(phenyliminomethyl)pyridin-2-amine
CID 170567627
4-methoxy-2-[(4-piperidin-1-ylphenyl)iminomethyl]phenol
CID 135774295
1-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)methanimine
CID 927293
[1-(2-ethenylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 174249291
ethyl 2-cyano-3-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enoate
CID 6926330

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]methanimine?
The IUPAC name of N-(4-methoxyphenyl)-1-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]methanimine (CID 6926327) is N-(4-methoxyphenyl)-1-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]methanimine.
What is the SMILES notation for N-(4-methoxyphenyl)-1-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]methanimine?
The canonical SMILES for N-(4-methoxyphenyl)-1-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]methanimine is COc1ccc(/N=C/c2ccccc2N2CC[NH+](C)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]methanimine?
The InChIKey is PDZIAYMPHXDGHX-HMMYKYKNSA-O. The full InChI is InChI=1S/C19H23N3O/c1-21-11-13-22(14-12-21)19-6-4-3-5-16(19)15-20-17-7-9-18(23-2)10-8-17/h3-10,15H,11-14H2,1-2H3/p+1/b20-15+.
What are the key properties of N-(4-methoxyphenyl)-1-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]methanimine?
N-(4-methoxyphenyl)-1-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]methanimine has a molecular weight of 310.42 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]methanimine is sourced from PubChem (CID 6926327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).