(Z)-N-(4-methylpiperazin-4-ium-1-yl)-1-(4-morpholin-4-ylphenyl)methanimine

C16H25N4O+ — CID 9058568

IUPAC(Z)-N-(4-methylpiperazin-4-ium-1-yl)-1-(4-morpholin-4-ylphenyl)methanimine
SMILESC[NH+]1CCN(/N=C\c2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C16H24N4O/c1-18-6-8-20(9-7-18)17-14-15-2-4-16(5-3-15)19-10-12-21-13-11-19/h2-5,14H,6-13H2,1H3/p+1/b17-14-
InChIKeyPNUWBFGAIDOVFG-VKAVYKQESA-O
MW289.40 g/mol
LogP-0.31
Rot. Bonds3

About (Z)-N-(4-methylpiperazin-4-ium-1-yl)-1-(4-morpholin-4-ylphenyl)methanimine

(Z)-N-(4-methylpiperazin-4-ium-1-yl)-1-(4-morpholin-4-ylphenyl)methanimine (PubChem CID 9058568) has the molecular formula C16H25N4O+ and a molecular weight of 289.40 g/mol. Its IUPAC name is (Z)-N-(4-methylpiperazin-4-ium-1-yl)-1-(4-morpholin-4-ylphenyl)methanimine.

Molecular Properties

Compound Name(Z)-N-(4-methylpiperazin-4-ium-1-yl)-1-(4-morpholin-4-ylphenyl)methanimine
PubChem CID9058568
Molecular FormulaC16H25N4O+
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC Name(Z)-N-(4-methylpiperazin-4-ium-1-yl)-1-(4-morpholin-4-ylphenyl)methanimine
SMILESC[NH+]1CCN(/N=C\c2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C16H24N4O/c1-18-6-8-20(9-7-18)17-14-15-2-4-16(5-3-15)19-10-12-21-13-11-19/h2-5,14H,6-13H2,1H3/p+1/b17-14-
InChIKeyPNUWBFGAIDOVFG-VKAVYKQESA-O
XLogP-0.31
TPSA32.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
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-methylpiperazin-4-ium-1-yl)-1-(4-nitrophenyl)methanimine
CID 2168889
N,N-dimethyl-4-[(E)-[(E)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]methyl]aniline
CID 154979796
(E)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-1-(4-piperidin-1-ylphenyl)methanimine
CID 172986311
4-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]phenyl]morpholine
CID 141350180
4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 914052
1-(3,4-dichlorophenyl)-N-morpholin-4-ylmethanimine
CID 23791709
3-methyl-4-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 9257185
(Z)-1-[4-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine
CID 7742090
(Z)-1-(3,5-dimethoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine
CID 9058516
1,3-bis[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea
CID 6905503
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 1276317
N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)methanimine
CID 795095

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-methylpiperazin-4-ium-1-yl)-1-(4-morpholin-4-ylphenyl)methanimine?
The IUPAC name of (Z)-N-(4-methylpiperazin-4-ium-1-yl)-1-(4-morpholin-4-ylphenyl)methanimine (CID 9058568) is (Z)-N-(4-methylpiperazin-4-ium-1-yl)-1-(4-morpholin-4-ylphenyl)methanimine.
What is the SMILES notation for (Z)-N-(4-methylpiperazin-4-ium-1-yl)-1-(4-morpholin-4-ylphenyl)methanimine?
The canonical SMILES for (Z)-N-(4-methylpiperazin-4-ium-1-yl)-1-(4-morpholin-4-ylphenyl)methanimine is C[NH+]1CCN(/N=C\c2ccc(N3CCOCC3)cc2)CC1.
What is the InChIKey of (Z)-N-(4-methylpiperazin-4-ium-1-yl)-1-(4-morpholin-4-ylphenyl)methanimine?
The InChIKey is PNUWBFGAIDOVFG-VKAVYKQESA-O. The full InChI is InChI=1S/C16H24N4O/c1-18-6-8-20(9-7-18)17-14-15-2-4-16(5-3-15)19-10-12-21-13-11-19/h2-5,14H,6-13H2,1H3/p+1/b17-14-.
What are the key properties of (Z)-N-(4-methylpiperazin-4-ium-1-yl)-1-(4-morpholin-4-ylphenyl)methanimine?
(Z)-N-(4-methylpiperazin-4-ium-1-yl)-1-(4-morpholin-4-ylphenyl)methanimine has a molecular weight of 289.40 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-methylpiperazin-4-ium-1-yl)-1-(4-morpholin-4-ylphenyl)methanimine is sourced from PubChem (CID 9058568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).