4-(6-methoxy-2-pyridinyl)-2-(piperidin-1-ylmethyl)phenol

C18H22N2O2 — CID 135971371

IUPAC4-(6-methoxy-2-pyridinyl)-2-(piperidin-1-ylmethyl)phenol
SMILESCOc1cccc(-c2ccc(O)c(CN3CCCCC3)c2)n1
InChIInChI=1S/C18H22N2O2/c1-22-18-7-5-6-16(19-18)14-8-9-17(21)15(12-14)13-20-10-3-2-4-11-20/h5-9,12,21H,2-4,10-11,13H2,1H3
InChIKeyPHSKAPVXSDCLLD-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.45
Rot. Bonds4

About 4-(6-methoxy-2-pyridinyl)-2-(piperidin-1-ylmethyl)phenol

4-(6-methoxy-2-pyridinyl)-2-(piperidin-1-ylmethyl)phenol (PubChem CID 135971371) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-(6-methoxy-2-pyridinyl)-2-(piperidin-1-ylmethyl)phenol.

Molecular Properties

Compound Name4-(6-methoxy-2-pyridinyl)-2-(piperidin-1-ylmethyl)phenol
PubChem CID135971371
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name4-(6-methoxy-2-pyridinyl)-2-(piperidin-1-ylmethyl)phenol
SMILESCOc1cccc(-c2ccc(O)c(CN3CCCCC3)c2)n1
InChIInChI=1S/C18H22N2O2/c1-22-18-7-5-6-16(19-18)14-8-9-17(21)15(12-14)13-20-10-3-2-4-11-20/h5-9,12,21H,2-4,10-11,13H2,1H3
InChIKeyPHSKAPVXSDCLLD-UHFFFAOYSA-N
XLogP3.45
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(6-methoxy-2-pyridinyl)-2-(piperidin-1-ylmethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-2-pyridinyl)-2-(piperidin-1-ylmethyl)phenol?
The IUPAC name of 4-(6-methoxy-2-pyridinyl)-2-(piperidin-1-ylmethyl)phenol (CID 135971371) is 4-(6-methoxy-2-pyridinyl)-2-(piperidin-1-ylmethyl)phenol.
What is the SMILES notation for 4-(6-methoxy-2-pyridinyl)-2-(piperidin-1-ylmethyl)phenol?
The canonical SMILES for 4-(6-methoxy-2-pyridinyl)-2-(piperidin-1-ylmethyl)phenol is COc1cccc(-c2ccc(O)c(CN3CCCCC3)c2)n1.
What is the InChIKey of 4-(6-methoxy-2-pyridinyl)-2-(piperidin-1-ylmethyl)phenol?
The InChIKey is PHSKAPVXSDCLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-22-18-7-5-6-16(19-18)14-8-9-17(21)15(12-14)13-20-10-3-2-4-11-20/h5-9,12,21H,2-4,10-11,13H2,1H3.
What are the key properties of 4-(6-methoxy-2-pyridinyl)-2-(piperidin-1-ylmethyl)phenol?
4-(6-methoxy-2-pyridinyl)-2-(piperidin-1-ylmethyl)phenol has a molecular weight of 298.39 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-2-pyridinyl)-2-(piperidin-1-ylmethyl)phenol is sourced from PubChem (CID 135971371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).