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

C23H26N2O2 — CID 135971366

IUPAC2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-4-(2-methylquinolin-4-yl)phenol
SMILESCc1cc(-c2ccc(O)c(CN3CCCCC3CO)c2)c2ccccc2n1
InChIInChI=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
InChIKeyXFYKJZVCYZZHFJ-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.26
Rot. Bonds4

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 Name2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-4-(2-methylquinolin-4-yl)phenol
PubChem CID135971366
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-4-(2-methylquinolin-4-yl)phenol
SMILESCc1cc(-c2ccc(O)c(CN3CCCCC3CO)c2)c2ccccc2n1
InChIInChI=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
InChIKeyXFYKJZVCYZZHFJ-UHFFFAOYSA-N
XLogP4.26
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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).