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

C12H17N3O — CID 135675989

IUPAC2-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol
SMILESCN1CCN(/N=C/c2ccccc2O)CC1
InChIInChI=1S/C12H17N3O/c1-14-6-8-15(9-7-14)13-10-11-4-2-3-5-12(11)16/h2-5,10,16H,6-9H2,1H3/b13-10+
InChIKeyISZFNKPDJHLJBH-JLHYYAGUSA-N
MW219.29 g/mol
LogP0.97
Rot. Bonds2

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

2-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol (PubChem CID 135675989) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol
PubChem CID135675989
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol
SMILESCN1CCN(/N=C/c2ccccc2O)CC1
InChIInChI=1S/C12H17N3O/c1-14-6-8-15(9-7-14)13-10-11-4-2-3-5-12(11)16/h2-5,10,16H,6-9H2,1H3/b13-10+
InChIKeyISZFNKPDJHLJBH-JLHYYAGUSA-N
XLogP0.97
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.97
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

2-[(E)-[4-[(Z)-(2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol
CID 136766507
1-(2-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine
CID 23763054
1-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine
CID 2343708
2-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol
CID 873932
5-(diethylamino)-2-[(4-methylpiperazin-1-yl)iminomethyl]phenol
CID 2343475
2-ethoxy-6-[(4-methylpiperazin-1-yl)iminomethyl]phenol;hydrochloride
CID 136666054
2-(4-methylpiperazin-1-yl)imino-1-phenylethanone;hydrochloride
CID 20981830
4-[(E)-[4-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]benzene-1,3-diol
CID 136795193
4-bromo-2-[(E)-[4-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol
CID 136766508
4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]benzene-1,3-diol
CID 135635815
(E)-1-(1,3-benzodioxol-5-yl)-N-(4-methylpiperazin-1-yl)methanimine
CID 6894202
(E,E)-2-bromo-N-(4-methylpiperazin-1-yl)-3-phenylprop-2-en-1-imine
CID 5342562

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol?
The IUPAC name of 2-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol (CID 135675989) is 2-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol.
What is the SMILES notation for 2-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol?
The canonical SMILES for 2-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol is CN1CCN(/N=C/c2ccccc2O)CC1.
What is the InChIKey of 2-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol?
The InChIKey is ISZFNKPDJHLJBH-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H17N3O/c1-14-6-8-15(9-7-14)13-10-11-4-2-3-5-12(11)16/h2-5,10,16H,6-9H2,1H3/b13-10+.
What are the key properties of 2-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol?
2-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol has a molecular weight of 219.29 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol is sourced from PubChem (CID 135675989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).