2-[[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol

C17H21N5O — CID 3099296

IUPAC2-[[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESCc1nc(NN=Cc2ccccc2O)cc(N2CCCCC2)n1
InChIInChI=1S/C17H21N5O/c1-13-19-16(11-17(20-13)22-9-5-2-6-10-22)21-18-12-14-7-3-4-8-15(14)23/h3-4,7-8,11-12,23H,2,5-6,9-10H2,1H3,(H,19,20,21)
InChIKeyVGFRCNIFUDUFTH-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.93
Rot. Bonds4

About 2-[[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol

2-[[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol (PubChem CID 3099296) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-[[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
PubChem CID3099296
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name2-[[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESCc1nc(NN=Cc2ccccc2O)cc(N2CCCCC2)n1
InChIInChI=1S/C17H21N5O/c1-13-19-16(11-17(20-13)22-9-5-2-6-10-22)21-18-12-14-7-3-4-8-15(14)23/h3-4,7-8,11-12,23H,2,5-6,9-10H2,1H3,(H,19,20,21)
InChIKeyVGFRCNIFUDUFTH-UHFFFAOYSA-N
XLogP2.93
TPSA73.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol (CID 3099296) is 2-[[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol is Cc1nc(NN=Cc2ccccc2O)cc(N2CCCCC2)n1.
What is the InChIKey of 2-[[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The InChIKey is VGFRCNIFUDUFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-13-19-16(11-17(20-13)22-9-5-2-6-10-22)21-18-12-14-7-3-4-8-15(14)23/h3-4,7-8,11-12,23H,2,5-6,9-10H2,1H3,(H,19,20,21).
What are the key properties of 2-[[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
2-[[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol has a molecular weight of 311.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 3099296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).