5-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-methoxyphenol

C22H31N7O2 — CID 3810486

IUPAC5-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-methoxyphenol
SMILESCOc1ccc(C=NN(C)c2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1O
InChIInChI=1S/C22H31N7O2/c1-27(23-16-17-9-10-19(31-2)18(30)15-17)20-24-21(28-11-5-3-6-12-28)26-22(25-20)29-13-7-4-8-14-29/h9-10,15-16,30H,3-8,11-14H2,1-2H3
InChIKeyRYAQJZSBCFOCOL-UHFFFAOYSA-N
MW425.54 g/mol
LogP3.04
Rot. Bonds6

About 5-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-methoxyphenol

5-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-methoxyphenol (PubChem CID 3810486) has the molecular formula C22H31N7O2 and a molecular weight of 425.54 g/mol. Its IUPAC name is 5-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-methoxyphenol
PubChem CID3810486
Molecular FormulaC22H31N7O2
Molecular Weight425.54 g/mol
Exact Mass425.25
IUPAC Name5-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-methoxyphenol
SMILESCOc1ccc(C=NN(C)c2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1O
InChIInChI=1S/C22H31N7O2/c1-27(23-16-17-9-10-19(31-2)18(30)15-17)20-24-21(28-11-5-3-6-12-28)26-22(25-20)29-13-7-4-8-14-29/h9-10,15-16,30H,3-8,11-14H2,1-2H3
InChIKeyRYAQJZSBCFOCOL-UHFFFAOYSA-N
XLogP3.04
TPSA90.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-methoxyphenol with MolForge

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Related Compounds

N-[(E)-(4-chlorophenyl)methylideneamino]-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 5339984
4-[(E)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-methoxy-6-prop-2-enylphenol
CID 137117270
2-[4-[(E)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-ethoxyphenoxy]acetamide
CID 126210067
4-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]benzene-1,3-diol
CID 3786990
4-[(E)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]benzene-1,3-diol
CID 135644327
N-[(2,4-diethoxyphenyl)methylideneamino]-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 3695532
N-(1,3-benzodioxol-5-ylmethylideneamino)-N-methyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 3135115
4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2-methoxyphenol
CID 137251415
2-methoxy-4-[(Z)-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 156588206
4-[(Z)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol
CID 136690058
4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol
CID 135641493
2-[4-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetonitrile
CID 4597499

Frequently Asked Questions

What is the IUPAC name of 5-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-methoxyphenol (CID 3810486) is 5-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-methoxyphenol is COc1ccc(C=NN(C)c2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1O.
What is the InChIKey of 5-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-methoxyphenol?
The InChIKey is RYAQJZSBCFOCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N7O2/c1-27(23-16-17-9-10-19(31-2)18(30)15-17)20-24-21(28-11-5-3-6-12-28)26-22(25-20)29-13-7-4-8-14-29/h9-10,15-16,30H,3-8,11-14H2,1-2H3.
What are the key properties of 5-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-methoxyphenol?
5-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-methoxyphenol has a molecular weight of 425.54 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-methoxyphenol is sourced from PubChem (CID 3810486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).