2-[(Z)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol

C25H32N8O — CID 137172606

IUPAC2-[(Z)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol
SMILESCCN(CC)c1ccc(/C=N\Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)c(O)c1
InChIInChI=1S/C25H32N8O/c1-3-32(4-2)21-14-13-19(22(34)17-21)18-26-31-24-28-23(27-20-11-7-5-8-12-20)29-25(30-24)33-15-9-6-10-16-33/h5,7-8,11-14,17-18,34H,3-4,6,9-10,15-16H2,1-2H3,(H2,27,28,29,30,31)/b26-18-
InChIKeyDVXKBZYGQXPLKK-ITYLOYPMSA-N
MW460.59 g/mol
LogP4.60
Rot. Bonds9

About 2-[(Z)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol

2-[(Z)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol (PubChem CID 137172606) has the molecular formula C25H32N8O and a molecular weight of 460.59 g/mol. Its IUPAC name is 2-[(Z)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol.

Molecular Properties

Compound Name2-[(Z)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol
PubChem CID137172606
Molecular FormulaC25H32N8O
Molecular Weight460.59 g/mol
Exact Mass460.27
IUPAC Name2-[(Z)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol
SMILESCCN(CC)c1ccc(/C=N\Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)c(O)c1
InChIInChI=1S/C25H32N8O/c1-3-32(4-2)21-14-13-19(22(34)17-21)18-26-31-24-28-23(27-20-11-7-5-8-12-20)29-25(30-24)33-15-9-6-10-16-33/h5,7-8,11-14,17-18,34H,3-4,6,9-10,15-16H2,1-2H3,(H2,27,28,29,30,31)/b26-18-
InChIKeyDVXKBZYGQXPLKK-ITYLOYPMSA-N
XLogP4.60
TPSA101.80 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.59
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135905107
2-[(E)-[[4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 169487947
4-N-phenyl-6-piperidin-1-yl-2-N-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine
CID 5187463
2-[(E)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4-nitrophenol
CID 135466655
4-[(Z)-[[4,6-bis(azepan-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]benzene-1,3-diol
CID 136744794
2-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 6172842
4-N-(4-fluorophenyl)-2-N-[(2-fluorophenyl)methylideneamino]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 2852361
4-N-(4-fluorophenyl)-2-N-[(E)-(2-fluorophenyl)methylideneamino]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 5334866
4-N-phenyl-6-piperidin-1-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine
CID 5071726
4-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 136919744
4-N-(4-fluorophenyl)-2-N-[(2-fluorophenyl)methylideneamino]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 91962248
2-[[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-3,4-dibromo-6-ethoxyphenol
CID 4224176

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol?
The IUPAC name of 2-[(Z)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol (CID 137172606) is 2-[(Z)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol.
What is the SMILES notation for 2-[(Z)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol?
The canonical SMILES for 2-[(Z)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol is CCN(CC)c1ccc(/C=N\Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)c(O)c1.
What is the InChIKey of 2-[(Z)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol?
The InChIKey is DVXKBZYGQXPLKK-ITYLOYPMSA-N. The full InChI is InChI=1S/C25H32N8O/c1-3-32(4-2)21-14-13-19(22(34)17-21)18-26-31-24-28-23(27-20-11-7-5-8-12-20)29-25(30-24)33-15-9-6-10-16-33/h5,7-8,11-14,17-18,34H,3-4,6,9-10,15-16H2,1-2H3,(H2,27,28,29,30,31)/b26-18-.
What are the key properties of 2-[(Z)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol?
2-[(Z)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol has a molecular weight of 460.59 g/mol, XLogP of 4.60, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol is sourced from PubChem (CID 137172606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).