2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-4-(2-methylquinolin-4-yl)phenol

C₂₃H₂₆N₂O₂ — CID 135971366

About 2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-4-(2-methylquinolin-4-yl)phenol

2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-4-(2-methylquinolin-4-yl)phenol (PubChem CID 135971366) has the molecular formula C₂₃H₂₆N₂O₂ and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-4-(2-methylquinolin-4-yl)phenol.

Molecular Properties

• Compound Name: 2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-4-(2-methylquinolin-4-yl)phenol
• PubChem CID: 135971366
• Molecular Formula: C₂₃H₂₆N₂O₂
• Molecular Weight: 362.47 g/mol
• Exact Mass: 362.20
• IUPAC Name: 2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-4-(2-methylquinolin-4-yl)phenol
• SMILES: Cc1cc(-c2ccc(O)c(CN3CCCCC3CO)c2)c2ccccc2n1
• InChI: InChI=1S/C23H26N2O2/c1-16-12-21(20-7-2-3-8-22(20)24-16)17-9-10-23(27)18(13-17)14-25-11-5-4-6-19(25)15-26/h2-3,7-10,12-13,19,26-27H,4-6,11,14-15H2,1H3
• InChIKey: XFYKJZVCYZZHFJ-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 56.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.47
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-4-(2-methylquinolin-4-yl)phenol?

The IUPAC name of 2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-4-(2-methylquinolin-4-yl)phenol (CID 135971366) is 2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-4-(2-methylquinolin-4-yl)phenol.

What is the SMILES notation for 2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-4-(2-methylquinolin-4-yl)phenol?

The canonical SMILES for 2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-4-(2-methylquinolin-4-yl)phenol is Cc1cc(-c2ccc(O)c(CN3CCCCC3CO)c2)c2ccccc2n1.

What is the InChIKey of 2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-4-(2-methylquinolin-4-yl)phenol?

The InChIKey is XFYKJZVCYZZHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-16-12-21(20-7-2-3-8-22(20)24-16)17-9-10-23(27)18(13-17)14-25-11-5-4-6-19(25)15-26/h2-3,7-10,12-13,19,26-27H,4-6,11,14-15H2,1H3.

What are the key properties of 2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-4-(2-methylquinolin-4-yl)phenol?

2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-4-(2-methylquinolin-4-yl)phenol has a molecular weight of 362.47 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-4-(2-methylquinolin-4-yl)phenol is sourced from PubChem (CID 135971366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135971366 — identifiers, structure, computed properties (public domain)

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