2-ethoxy-6-[(4-methylpiperazin-1-yl)iminomethyl]phenol;hydrochloride

C14H22ClN3O2 — CID 136666054

IUPAC2-ethoxy-6-[(4-methylpiperazin-1-yl)iminomethyl]phenol;hydrochloride
SMILESCCOc1cccc(C=NN2CCN(C)CC2)c1O.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-3-19-13-6-4-5-12(14(13)18)11-15-17-9-7-16(2)8-10-17;/h4-6,11,18H,3,7-10H2,1-2H3;1H
InChIKeyBUUGTLLCNUBVLH-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.79
Rot. Bonds4

About 2-ethoxy-6-[(4-methylpiperazin-1-yl)iminomethyl]phenol;hydrochloride

2-ethoxy-6-[(4-methylpiperazin-1-yl)iminomethyl]phenol;hydrochloride (PubChem CID 136666054) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-ethoxy-6-[(4-methylpiperazin-1-yl)iminomethyl]phenol;hydrochloride.

Molecular Properties

Compound Name2-ethoxy-6-[(4-methylpiperazin-1-yl)iminomethyl]phenol;hydrochloride
PubChem CID136666054
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name2-ethoxy-6-[(4-methylpiperazin-1-yl)iminomethyl]phenol;hydrochloride
SMILESCCOc1cccc(C=NN2CCN(C)CC2)c1O.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-3-19-13-6-4-5-12(14(13)18)11-15-17-9-7-16(2)8-10-17;/h4-6,11,18H,3,7-10H2,1-2H3;1H
InChIKeyBUUGTLLCNUBVLH-UHFFFAOYSA-N
XLogP1.79
TPSA48.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-ethoxy-6-[(E)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenol
CID 135852425
2-[(4-benzhydrylpiperazin-1-yl)iminomethyl]-6-ethoxyphenol
CID 2868303
2-ethoxy-6-[(Z)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol
CID 135928779
2-[(Z)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-6-ethoxyphenol
CID 135948689
2-[(E)-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]iminomethyl]-6-ethoxyphenol
CID 135821474
2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135487695
2-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol
CID 135675989
1-(2-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine
CID 23763054
2-ethoxy-6-[(E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol
CID 139177834
2-ethoxy-6-(phenyliminomethyl)phenol
CID 135657442
2-methoxy-6-[[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol
CID 876914
2-[(2,6-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 135657455

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[(4-methylpiperazin-1-yl)iminomethyl]phenol;hydrochloride?
The IUPAC name of 2-ethoxy-6-[(4-methylpiperazin-1-yl)iminomethyl]phenol;hydrochloride (CID 136666054) is 2-ethoxy-6-[(4-methylpiperazin-1-yl)iminomethyl]phenol;hydrochloride.
What is the SMILES notation for 2-ethoxy-6-[(4-methylpiperazin-1-yl)iminomethyl]phenol;hydrochloride?
The canonical SMILES for 2-ethoxy-6-[(4-methylpiperazin-1-yl)iminomethyl]phenol;hydrochloride is CCOc1cccc(C=NN2CCN(C)CC2)c1O.Cl.
What is the InChIKey of 2-ethoxy-6-[(4-methylpiperazin-1-yl)iminomethyl]phenol;hydrochloride?
The InChIKey is BUUGTLLCNUBVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.ClH/c1-3-19-13-6-4-5-12(14(13)18)11-15-17-9-7-16(2)8-10-17;/h4-6,11,18H,3,7-10H2,1-2H3;1H.
What are the key properties of 2-ethoxy-6-[(4-methylpiperazin-1-yl)iminomethyl]phenol;hydrochloride?
2-ethoxy-6-[(4-methylpiperazin-1-yl)iminomethyl]phenol;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[(4-methylpiperazin-1-yl)iminomethyl]phenol;hydrochloride is sourced from PubChem (CID 136666054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).