4-[(4-methoxyphenyl)diazenyl]-2-methyl-6-(piperidin-1-ylmethyl)phenol

C20H25N3O2 — CID 2801983

IUPAC4-[(4-methoxyphenyl)diazenyl]-2-methyl-6-(piperidin-1-ylmethyl)phenol
SMILESCOc1ccc(/N=N/c2cc(C)c(O)c(CN3CCCCC3)c2)cc1
InChIInChI=1S/C20H25N3O2/c1-15-12-18(22-21-17-6-8-19(25-2)9-7-17)13-16(20(15)24)14-23-10-4-3-5-11-23/h6-9,12-13,24H,3-5,10-11,14H2,1-2H3/b22-21+
InChIKeyZKVYNTLHODDHIF-QURGRASLSA-N
MW339.44 g/mol
LogP5.11
Rot. Bonds5

About 4-[(4-methoxyphenyl)diazenyl]-2-methyl-6-(piperidin-1-ylmethyl)phenol

4-[(4-methoxyphenyl)diazenyl]-2-methyl-6-(piperidin-1-ylmethyl)phenol (PubChem CID 2801983) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)diazenyl]-2-methyl-6-(piperidin-1-ylmethyl)phenol.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)diazenyl]-2-methyl-6-(piperidin-1-ylmethyl)phenol
PubChem CID2801983
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-[(4-methoxyphenyl)diazenyl]-2-methyl-6-(piperidin-1-ylmethyl)phenol
SMILESCOc1ccc(/N=N/c2cc(C)c(O)c(CN3CCCCC3)c2)cc1
InChIInChI=1S/C20H25N3O2/c1-15-12-18(22-21-17-6-8-19(25-2)9-7-17)13-16(20(15)24)14-23-10-4-3-5-11-23/h6-9,12-13,24H,3-5,10-11,14H2,1-2H3/b22-21+
InChIKeyZKVYNTLHODDHIF-QURGRASLSA-N
XLogP5.11
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)diazenyl]-2-methyl-6-(piperidin-1-ylmethyl)phenol?
The IUPAC name of 4-[(4-methoxyphenyl)diazenyl]-2-methyl-6-(piperidin-1-ylmethyl)phenol (CID 2801983) is 4-[(4-methoxyphenyl)diazenyl]-2-methyl-6-(piperidin-1-ylmethyl)phenol.
What is the SMILES notation for 4-[(4-methoxyphenyl)diazenyl]-2-methyl-6-(piperidin-1-ylmethyl)phenol?
The canonical SMILES for 4-[(4-methoxyphenyl)diazenyl]-2-methyl-6-(piperidin-1-ylmethyl)phenol is COc1ccc(/N=N/c2cc(C)c(O)c(CN3CCCCC3)c2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)diazenyl]-2-methyl-6-(piperidin-1-ylmethyl)phenol?
The InChIKey is ZKVYNTLHODDHIF-QURGRASLSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-12-18(22-21-17-6-8-19(25-2)9-7-17)13-16(20(15)24)14-23-10-4-3-5-11-23/h6-9,12-13,24H,3-5,10-11,14H2,1-2H3/b22-21+.
What are the key properties of 4-[(4-methoxyphenyl)diazenyl]-2-methyl-6-(piperidin-1-ylmethyl)phenol?
4-[(4-methoxyphenyl)diazenyl]-2-methyl-6-(piperidin-1-ylmethyl)phenol has a molecular weight of 339.44 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)diazenyl]-2-methyl-6-(piperidin-1-ylmethyl)phenol is sourced from PubChem (CID 2801983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).