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

C18H21N3O2 — CID 118737739

IUPAC2-methoxy-5-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol
SMILESCOc1ccc(/C=N/N2CCN(c3ccccc3)CC2)cc1O
InChIInChI=1S/C18H21N3O2/c1-23-18-8-7-15(13-17(18)22)14-19-21-11-9-20(10-12-21)16-5-3-2-4-6-16/h2-8,13-14,22H,9-12H2,1H3/b19-14+
InChIKeyVFZYPVWQBTVMAJ-XMHGGMMESA-N
MW311.39 g/mol
LogP2.56
Rot. Bonds4

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

2-methoxy-5-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol (PubChem CID 118737739) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-methoxy-5-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol
PubChem CID118737739
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-methoxy-5-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol
SMILESCOc1ccc(/C=N/N2CCN(c3ccccc3)CC2)cc1O
InChIInChI=1S/C18H21N3O2/c1-23-18-8-7-15(13-17(18)22)14-19-21-11-9-20(10-12-21)16-5-3-2-4-6-16/h2-8,13-14,22H,9-12H2,1H3/b19-14+
InChIKeyVFZYPVWQBTVMAJ-XMHGGMMESA-N
XLogP2.56
TPSA48.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.56
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

4-Hydroxy-3-methoxybenzaldehyde phenylhydrazone
CID 135684904
2,6-Dimethoxy-4-(((4-(2-methoxyphenyl)-1-piperazinyl)imino)methyl)phenol
CID 135498032
2,6-Dimethoxy-4-(((4-(4-methylbenzyl)-1-piperazinyl)imino)methyl)phenol
CID 135492297
5-{[4-(4-Chloro-phenyl)-piperazin-1-ylimino]-methyl}-2-methoxy-phenol
CID 5726092
5-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]-2-methoxyphenol
CID 9655904
4-(Diphenyl-hydrazonomethyl)-2-methoxy-phenol
CID 135444096
4-{(E)-[(4-benzylpiperazin-1-yl)imino]methyl}-2-ethoxyphenol
CID 135635824
2,6-dimethoxy-4-{(E)-[(4-phenylpiperazin-1-yl)imino]methyl}phenyl acetate
CID 5727676
4-(4-chlorophenyl)-N-(2,3-dimethoxybenzylidene)piperazin-1-amine
CID 6879387
4-[(E)-{[4-(2-methoxyphenyl)piperazin-1-yl]imino}methyl]benzene-1,2-diol
CID 135455093
N-(2,3-dimethoxybenzylidene)-4-(2-methoxyphenyl)-1-piperazinamine
CID 5727635
2-methoxy-4-{(1Z)-N-[4-(4-methylbenzyl)piperazin-1-yl]ethanimidoyl}phenol
CID 135426045

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol?
The IUPAC name of 2-methoxy-5-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol (CID 118737739) is 2-methoxy-5-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol.
What is the SMILES notation for 2-methoxy-5-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol?
The canonical SMILES for 2-methoxy-5-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol is COc1ccc(/C=N/N2CCN(c3ccccc3)CC2)cc1O.
What is the InChIKey of 2-methoxy-5-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol?
The InChIKey is VFZYPVWQBTVMAJ-XMHGGMMESA-N. The full InChI is InChI=1S/C18H21N3O2/c1-23-18-8-7-15(13-17(18)22)14-19-21-11-9-20(10-12-21)16-5-3-2-4-6-16/h2-8,13-14,22H,9-12H2,1H3/b19-14+.
What are the key properties of 2-methoxy-5-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol?
2-methoxy-5-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol has a molecular weight of 311.39 g/mol, XLogP of 2.56, 4 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-phenylpiperazin-1-yl)iminomethyl]phenol is sourced from PubChem (CID 118737739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).