5-(diethylamino)-2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]phenol

C23H33N4O+ — CID 135774341

IUPAC5-(diethylamino)-2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]phenol
SMILESCCN(CC)c1ccc(/C=N/c2ccc(N3CC[NH+](CC)CC3)cc2)c(O)c1
InChIInChI=1S/C23H32N4O/c1-4-25-13-15-27(16-14-25)21-11-8-20(9-12-21)24-18-19-7-10-22(17-23(19)28)26(5-2)6-3/h7-12,17-18,28H,4-6,13-16H2,1-3H3/p+1/b24-18+
InChIKeyMGWNKTWGNJHWOA-HKOYGPOVSA-O
MW381.54 g/mol
LogP2.71
Rot. Bonds7

About 5-(diethylamino)-2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]phenol

5-(diethylamino)-2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]phenol (PubChem CID 135774341) has the molecular formula C23H33N4O+ and a molecular weight of 381.54 g/mol. Its IUPAC name is 5-(diethylamino)-2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name5-(diethylamino)-2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]phenol
PubChem CID135774341
Molecular FormulaC23H33N4O+
Molecular Weight381.54 g/mol
Exact Mass381.26
IUPAC Name5-(diethylamino)-2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]phenol
SMILESCCN(CC)c1ccc(/C=N/c2ccc(N3CC[NH+](CC)CC3)cc2)c(O)c1
InChIInChI=1S/C23H32N4O/c1-4-25-13-15-27(16-14-25)21-11-8-20(9-12-21)24-18-19-7-10-22(17-23(19)28)26(5-2)6-3/h7-12,17-18,28H,4-6,13-16H2,1-3H3/p+1/b24-18+
InChIKeyMGWNKTWGNJHWOA-HKOYGPOVSA-O
XLogP2.71
TPSA43.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-(diethylamino)-2-(phenyliminomethyl)phenol
CID 641174
5-(diethylamino)-2-[[4-(tetrazol-1-yl)phenyl]iminomethyl]phenol
CID 135774370
2-[(3,4-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol
CID 693567
2-[[4-(diethylamino)phenyl]iminomethyl]-5-[ethyl(methyl)amino]phenol
CID 142086910
2-(1,3-benzodioxol-5-yliminomethyl)-5-(diethylamino)phenol
CID 2352957
5-(diethylamino)-2-[[4-(difluoromethoxy)phenyl]iminomethyl]phenol
CID 135774334
N-[4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]phenyl]acetamide
CID 738975
5-(diethylamino)-2-[(2,4,6-trimethylphenyl)iminomethyl]phenol
CID 830890
[4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]phenyl] thiocyanate
CID 135556431
2-[(4-amino-3,5-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol
CID 135675128
5-(diethylamino)-2-[(4-methylpiperazin-1-yl)iminomethyl]phenol
CID 2343475
5-(diethylamino)-2-[[3-(hydroxymethyl)-4-methoxyphenyl]iminomethyl]phenol
CID 136733745

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]phenol?
The IUPAC name of 5-(diethylamino)-2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]phenol (CID 135774341) is 5-(diethylamino)-2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 5-(diethylamino)-2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]phenol?
The canonical SMILES for 5-(diethylamino)-2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]phenol is CCN(CC)c1ccc(/C=N/c2ccc(N3CC[NH+](CC)CC3)cc2)c(O)c1.
What is the InChIKey of 5-(diethylamino)-2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]phenol?
The InChIKey is MGWNKTWGNJHWOA-HKOYGPOVSA-O. The full InChI is InChI=1S/C23H32N4O/c1-4-25-13-15-27(16-14-25)21-11-8-20(9-12-21)24-18-19-7-10-22(17-23(19)28)26(5-2)6-3/h7-12,17-18,28H,4-6,13-16H2,1-3H3/p+1/b24-18+.
What are the key properties of 5-(diethylamino)-2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]phenol?
5-(diethylamino)-2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]phenol has a molecular weight of 381.54 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 135774341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).