2,4-dichloro-6-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol

C12H15Cl2N3O — CID 135585270

IUPAC2,4-dichloro-6-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol
SMILESCN1CCN(/N=C/c2cc(Cl)cc(Cl)c2O)CC1
InChIInChI=1S/C12H15Cl2N3O/c1-16-2-4-17(5-3-16)15-8-9-6-10(13)7-11(14)12(9)18/h6-8,18H,2-5H2,1H3/b15-8+
InChIKeyZJLDYLJUCWQNGD-OVCLIPMQSA-N
MW288.18 g/mol
LogP2.28
Rot. Bonds2

About 2,4-dichloro-6-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol

2,4-dichloro-6-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol (PubChem CID 135585270) has the molecular formula C12H15Cl2N3O and a molecular weight of 288.18 g/mol. Its IUPAC name is 2,4-dichloro-6-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol
PubChem CID135585270
Molecular FormulaC12H15Cl2N3O
Molecular Weight288.18 g/mol
Exact Mass287.06
IUPAC Name2,4-dichloro-6-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol
SMILESCN1CCN(/N=C/c2cc(Cl)cc(Cl)c2O)CC1
InChIInChI=1S/C12H15Cl2N3O/c1-16-2-4-17(5-3-16)15-8-9-6-10(13)7-11(14)12(9)18/h6-8,18H,2-5H2,1H3/b15-8+
InChIKeyZJLDYLJUCWQNGD-OVCLIPMQSA-N
XLogP2.28
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[(3,5-dichloro-2-hydroxybenzylidene)amino]-4,6-dimethyl-2(1H)-pyridinone
CID 135418698
3,5-Dichloro-2-hydroxybenzaldehyde hydrazone
CID 135445572
2-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]guanidine
CID 135545702
(6E)-2,4-dichloro-6-[[2-[(E)-(3,5-dichloro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one
CID 135418722
2,4-dichloro-6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]phenol
CID 135445489
2,4-Dichloro-6-[[(3,5-dichloro-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 1790013
N'-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N,N-dimethylmethanimidamide
CID 135472993
methyl N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-methylcarbamodithioate
CID 135520635
methyl N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-methylcarbamodithioate
CID 136995870
2,4-Dichloro-6-({2-[(3,5-dichloro-2-hydroxybenzylidene)amino]ethyl}iminomethyl)phenol
CID 482308
2,4-Dichloro-6-(3,4,4-trifluorobut-3-enyliminomethyl)phenol
CID 135753374
4-Chloro-2-[2-(dimethylamino)ethyliminomethyl]phenol
CID 136498024

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol (CID 135585270) is 2,4-dichloro-6-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol is CN1CCN(/N=C/c2cc(Cl)cc(Cl)c2O)CC1.
What is the InChIKey of 2,4-dichloro-6-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol?
The InChIKey is ZJLDYLJUCWQNGD-OVCLIPMQSA-N. The full InChI is InChI=1S/C12H15Cl2N3O/c1-16-2-4-17(5-3-16)15-8-9-6-10(13)7-11(14)12(9)18/h6-8,18H,2-5H2,1H3/b15-8+.
What are the key properties of 2,4-dichloro-6-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol?
2,4-dichloro-6-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol has a molecular weight of 288.18 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol is sourced from PubChem (CID 135585270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).