2-[(E)-N-hydroxy-C-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbonimidoyl]-4-methylphenol

C19H24N4O2 — CID 135407844

IUPAC2-[(E)-N-hydroxy-C-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbonimidoyl]-4-methylphenol
SMILESCc1ccc(O)c(/C(CCN2CCN(c3ccccn3)CC2)=N/O)c1
InChIInChI=1S/C19H24N4O2/c1-15-5-6-18(24)16(14-15)17(21-25)7-9-22-10-12-23(13-11-22)19-4-2-3-8-20-19/h2-6,8,14,24-25H,7,9-13H2,1H3/b21-17+
InChIKeyZWQOXMHVCXACBK-HEHNFIMWSA-N
MW340.43 g/mol
LogP2.49
Rot. Bonds5

About 2-[(E)-N-hydroxy-C-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbonimidoyl]-4-methylphenol

2-[(E)-N-hydroxy-C-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbonimidoyl]-4-methylphenol (PubChem CID 135407844) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[(E)-N-hydroxy-C-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbonimidoyl]-4-methylphenol.

Molecular Properties

Compound Name2-[(E)-N-hydroxy-C-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbonimidoyl]-4-methylphenol
PubChem CID135407844
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-[(E)-N-hydroxy-C-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbonimidoyl]-4-methylphenol
SMILESCc1ccc(O)c(/C(CCN2CCN(c3ccccn3)CC2)=N/O)c1
InChIInChI=1S/C19H24N4O2/c1-15-5-6-18(24)16(14-15)17(21-25)7-9-22-10-12-23(13-11-22)19-4-2-3-8-20-19/h2-6,8,14,24-25H,7,9-13H2,1H3/b21-17+
InChIKeyZWQOXMHVCXACBK-HEHNFIMWSA-N
XLogP2.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-{[4-(pyridin-2-yl)piperazin-1-yl]imino}methyl]phenol
CID 135519103
4-Methyl-2-{[(pyridin-2-yl)amino]methyl}phenol
CID 649046
Alpha-(4-methyl-2-pyridylimino)-O-cresol
CID 317647
4-[(4-Pyrimidin-2-ylpiperazin-1-yl)methyl]phenol
CID 764635
4-Methyl-2-[(4-methyl-pyridin-2-ylamino)-methyl]-phenol
CID 890374
(3-Tert-butyl-4-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 46914575
4-[4-Phenyl-6-(propyl-pyridin-2-ylmethyl-amino)-pyridin-2-yl]-phenol
CID 135529495
4-[(E)-{[4-(pyridin-2-yl)piperazin-1-yl]imino}methyl]phenol
CID 135548528
O-Desmethyl Pyrilamine
CID 14076877
(1Z)-1-hydroxyimino-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 11849179
(1E)-1-hydroxyimino-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 11849823
4-[Ethyl-(5-nitro-2-pyridinyl)amino]-2-(piperidin-1-ylmethyl)phenol;hydrochloride
CID 44531974

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-N-hydroxy-C-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbonimidoyl]-4-methylphenol?
The IUPAC name of 2-[(E)-N-hydroxy-C-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbonimidoyl]-4-methylphenol (CID 135407844) is 2-[(E)-N-hydroxy-C-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbonimidoyl]-4-methylphenol.
What is the SMILES notation for 2-[(E)-N-hydroxy-C-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbonimidoyl]-4-methylphenol?
The canonical SMILES for 2-[(E)-N-hydroxy-C-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbonimidoyl]-4-methylphenol is Cc1ccc(O)c(/C(CCN2CCN(c3ccccn3)CC2)=N/O)c1.
What is the InChIKey of 2-[(E)-N-hydroxy-C-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbonimidoyl]-4-methylphenol?
The InChIKey is ZWQOXMHVCXACBK-HEHNFIMWSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-15-5-6-18(24)16(14-15)17(21-25)7-9-22-10-12-23(13-11-22)19-4-2-3-8-20-19/h2-6,8,14,24-25H,7,9-13H2,1H3/b21-17+.
What are the key properties of 2-[(E)-N-hydroxy-C-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbonimidoyl]-4-methylphenol?
2-[(E)-N-hydroxy-C-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbonimidoyl]-4-methylphenol has a molecular weight of 340.43 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-N-hydroxy-C-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbonimidoyl]-4-methylphenol is sourced from PubChem (CID 135407844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).