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

C21H29N7O2 — CID 3786990

IUPAC4-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]benzene-1,3-diol
SMILESCN(N=Cc1ccc(O)cc1O)c1nc(N2CCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C21H29N7O2/c1-26(22-15-16-8-9-17(29)14-18(16)30)19-23-20(27-10-4-2-5-11-27)25-21(24-19)28-12-6-3-7-13-28/h8-9,14-15,29-30H,2-7,10-13H2,1H3
InChIKeyUQJHOEGRWNESNV-UHFFFAOYSA-N
MW411.51 g/mol
LogP2.73
Rot. Bonds5

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

4-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]benzene-1,3-diol (PubChem CID 3786990) has the molecular formula C21H29N7O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 4-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]benzene-1,3-diol
PubChem CID3786990
Molecular FormulaC21H29N7O2
Molecular Weight411.51 g/mol
Exact Mass411.24
IUPAC Name4-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]benzene-1,3-diol
SMILESCN(N=Cc1ccc(O)cc1O)c1nc(N2CCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C21H29N7O2/c1-26(22-15-16-8-9-17(29)14-18(16)30)19-23-20(27-10-4-2-5-11-27)25-21(24-19)28-12-6-3-7-13-28/h8-9,14-15,29-30H,2-7,10-13H2,1H3
InChIKeyUQJHOEGRWNESNV-UHFFFAOYSA-N
XLogP2.73
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]benzene-1,3-diol
CID 135644327
4-[(Z)-[[4,6-bis(azepan-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]benzene-1,3-diol
CID 136744794
5-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-methoxyphenol
CID 3810486
N-[(E)-(4-chlorophenyl)methylideneamino]-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 5339984
N-[(2,4-diethoxyphenyl)methylideneamino]-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 3695532
4-[(E)-[[2,6-di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol
CID 135504388
4-[[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]benzene-1,3-diol
CID 3958657
4-[(E)-piperidin-1-yliminomethyl]benzene-1,3-diol
CID 135684063
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide
CID 135606981
4-[(E)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-methoxy-6-prop-2-enylphenol
CID 137117270
N-(1,3-benzodioxol-5-ylmethylideneamino)-N-methyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 3135115
2-[4-[(E)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-ethoxyphenoxy]acetamide
CID 126210067

Frequently Asked Questions

What is the IUPAC name of 4-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]benzene-1,3-diol?
The IUPAC name of 4-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]benzene-1,3-diol (CID 3786990) is 4-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]benzene-1,3-diol is CN(N=Cc1ccc(O)cc1O)c1nc(N2CCCCC2)nc(N2CCCCC2)n1.
What is the InChIKey of 4-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]benzene-1,3-diol?
The InChIKey is UQJHOEGRWNESNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O2/c1-26(22-15-16-8-9-17(29)14-18(16)30)19-23-20(27-10-4-2-5-11-27)25-21(24-19)28-12-6-3-7-13-28/h8-9,14-15,29-30H,2-7,10-13H2,1H3.
What are the key properties of 4-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]benzene-1,3-diol?
4-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]benzene-1,3-diol has a molecular weight of 411.51 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]benzene-1,3-diol is sourced from PubChem (CID 3786990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).