1-[(2,6-dimethylphenyl)methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol

C24H28N2O — CID 56739174

IUPAC1-[(2,6-dimethylphenyl)methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol
SMILESCc1ccc2cc(C3(O)CCN(Cc4c(C)cccc4C)CC3)ccc2n1
InChIInChI=1S/C24H28N2O/c1-17-5-4-6-18(2)22(17)16-26-13-11-24(27,12-14-26)21-9-10-23-20(15-21)8-7-19(3)25-23/h4-10,15,27H,11-14,16H2,1-3H3
InChIKeyOOJWUIQAFXTUAS-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.64
Rot. Bonds3

About 1-[(2,6-dimethylphenyl)methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol

1-[(2,6-dimethylphenyl)methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol (PubChem CID 56739174) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-[(2,6-dimethylphenyl)methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(2,6-dimethylphenyl)methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol
PubChem CID56739174
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name1-[(2,6-dimethylphenyl)methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol
SMILESCc1ccc2cc(C3(O)CCN(Cc4c(C)cccc4C)CC3)ccc2n1
InChIInChI=1S/C24H28N2O/c1-17-5-4-6-18(2)22(17)16-26-13-11-24(27,12-14-26)21-9-10-23-20(15-21)8-7-19(3)25-23/h4-10,15,27H,11-14,16H2,1-3H3
InChIKeyOOJWUIQAFXTUAS-UHFFFAOYSA-N
XLogP4.64
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethylphenyl)methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol?
The IUPAC name of 1-[(2,6-dimethylphenyl)methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol (CID 56739174) is 1-[(2,6-dimethylphenyl)methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol.
What is the SMILES notation for 1-[(2,6-dimethylphenyl)methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol?
The canonical SMILES for 1-[(2,6-dimethylphenyl)methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol is Cc1ccc2cc(C3(O)CCN(Cc4c(C)cccc4C)CC3)ccc2n1.
What is the InChIKey of 1-[(2,6-dimethylphenyl)methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol?
The InChIKey is OOJWUIQAFXTUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-17-5-4-6-18(2)22(17)16-26-13-11-24(27,12-14-26)21-9-10-23-20(15-21)8-7-19(3)25-23/h4-10,15,27H,11-14,16H2,1-3H3.
What are the key properties of 1-[(2,6-dimethylphenyl)methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol?
1-[(2,6-dimethylphenyl)methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol has a molecular weight of 360.50 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dimethylphenyl)methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol is sourced from PubChem (CID 56739174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).