2-methoxy-5-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol

C13H19N3O2 — CID 6894200

IUPAC2-methoxy-5-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol
SMILESCOc1ccc(/C=N/N2CCN(C)CC2)cc1O
InChIInChI=1S/C13H19N3O2/c1-15-5-7-16(8-6-15)14-10-11-3-4-13(18-2)12(17)9-11/h3-4,9-10,17H,5-8H2,1-2H3/b14-10+
InChIKeyZAKVRUKCNLANEM-GXDHUFHOSA-N
MW249.31 g/mol
LogP0.98
Rot. Bonds3

About 2-methoxy-5-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol

2-methoxy-5-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol (PubChem CID 6894200) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-methoxy-5-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol
PubChem CID6894200
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-methoxy-5-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol
SMILESCOc1ccc(/C=N/N2CCN(C)CC2)cc1O
InChIInChI=1S/C13H19N3O2/c1-15-5-7-16(8-6-15)14-10-11-3-4-13(18-2)12(17)9-11/h3-4,9-10,17H,5-8H2,1-2H3/b14-10+
InChIKeyZAKVRUKCNLANEM-GXDHUFHOSA-N
XLogP0.98
TPSA48.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Benzaldehyde, 4-hydroxy-3-methoxy-, 2-[(4-hydroxy-3-methoxyphenyl)methylene]hydrazone
CID 135414383
3-Ethoxy-4-hydroxybenzaldehyde (3-ethoxy-4-hydroxybenzylidene)hydrazone
CID 135418706
2,6-Dimethoxy-4-(((4-(4-methylbenzyl)-1-piperazinyl)imino)methyl)phenol
CID 135492297
(C(E))-4-Hydroxy-3-methoxybenzaldehyde oxime
CID 135431232
(E)-1-(3,4-dimethoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)methanimine
CID 9627226
(E)-N-(2,6-dimethylpiperidin-1-yl)-1-(4-ethoxy-3-methoxyphenyl)methanimine
CID 9642140
Piperidin-1-yl-acetic acid (3-ethoxy-4-hydroxy-benzylidene)-hydrazide
CID 135537550
4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-2,6-dimethoxyphenol
CID 135548581
4-{(E)-[(4-benzylpiperazin-1-yl)imino]methyl}-2-ethoxyphenol
CID 135635824
(4Z)-4-[[(2,6-dimethylpiperidino)amino]methylene]-2-hydroxy-cyclohexa-2,5-dien-1-one
CID 135679010
1,2-Benzenediol,4-[(1-piperidinylimino)methyl]-
CID 135691225
2-methoxy-5-[(E)-(morpholin-4-ylimino)methyl]phenol
CID 6903171

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol?
The IUPAC name of 2-methoxy-5-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol (CID 6894200) is 2-methoxy-5-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol.
What is the SMILES notation for 2-methoxy-5-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol?
The canonical SMILES for 2-methoxy-5-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol is COc1ccc(/C=N/N2CCN(C)CC2)cc1O.
What is the InChIKey of 2-methoxy-5-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol?
The InChIKey is ZAKVRUKCNLANEM-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15-5-7-16(8-6-15)14-10-11-3-4-13(18-2)12(17)9-11/h3-4,9-10,17H,5-8H2,1-2H3/b14-10+.
What are the key properties of 2-methoxy-5-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol?
2-methoxy-5-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol has a molecular weight of 249.31 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol is sourced from PubChem (CID 6894200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).