3-[(E)-[[2,6-di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol

C21H28N6O — CID 5340802

IUPAC3-[(E)-[[2,6-di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
SMILESOc1cccc(/C=N/Nc2cc(N3CCCCC3)nc(N3CCCCC3)n2)c1
InChIInChI=1S/C21H28N6O/c28-18-9-7-8-17(14-18)16-22-25-19-15-20(26-10-3-1-4-11-26)24-21(23-19)27-12-5-2-6-13-27/h7-9,14-16,28H,1-6,10-13H2,(H,23,24,25)/b22-16+
InChIKeyRPUOELWTBREXST-CJLVFECKSA-N
MW380.50 g/mol
LogP3.61
Rot. Bonds5

About 3-[(E)-[[2,6-di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol

3-[(E)-[[2,6-di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol (PubChem CID 5340802) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is 3-[(E)-[[2,6-di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name3-[(E)-[[2,6-di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
PubChem CID5340802
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name3-[(E)-[[2,6-di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
SMILESOc1cccc(/C=N/Nc2cc(N3CCCCC3)nc(N3CCCCC3)n2)c1
InChIInChI=1S/C21H28N6O/c28-18-9-7-8-17(14-18)16-22-25-19-15-20(26-10-3-1-4-11-26)24-21(23-19)27-12-5-2-6-13-27/h7-9,14-16,28H,1-6,10-13H2,(H,23,24,25)/b22-16+
InChIKeyRPUOELWTBREXST-CJLVFECKSA-N
XLogP3.61
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methylphenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
CID 4679735
N-[(E)-benzylideneamino]-2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-amine
CID 172962795
4-[(E)-[[2,6-di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol
CID 135504388
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-[[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 2849890
4-[(E)-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 135501770
N-[(2-chlorophenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
CID 2849982
N-[(E)-furan-2-ylmethylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
CID 5340113
N-[(2,4-dichlorophenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
CID 2853645
N-[[4-(diethylamino)phenyl]methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
CID 3522387
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
CID 5340691

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[[2,6-di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 3-[(E)-[[2,6-di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol (CID 5340802) is 3-[(E)-[[2,6-di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 3-[(E)-[[2,6-di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 3-[(E)-[[2,6-di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol is Oc1cccc(/C=N/Nc2cc(N3CCCCC3)nc(N3CCCCC3)n2)c1.
What is the InChIKey of 3-[(E)-[[2,6-di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The InChIKey is RPUOELWTBREXST-CJLVFECKSA-N. The full InChI is InChI=1S/C21H28N6O/c28-18-9-7-8-17(14-18)16-22-25-19-15-20(26-10-3-1-4-11-26)24-21(23-19)27-12-5-2-6-13-27/h7-9,14-16,28H,1-6,10-13H2,(H,23,24,25)/b22-16+.
What are the key properties of 3-[(E)-[[2,6-di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol?
3-[(E)-[[2,6-di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol has a molecular weight of 380.50 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[[2,6-di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 5340802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).