(4-benzyl-4-hydroxypiperidin-1-yl)-[5-methyl-2-(2-methyl-4-pyridinyl)phenyl]methanone

C26H28N2O2 — CID 171353815

IUPAC(4-benzyl-4-hydroxypiperidin-1-yl)-[5-methyl-2-(2-methyl-4-pyridinyl)phenyl]methanone
SMILESCc1ccc(-c2ccnc(C)c2)c(C(=O)N2CCC(O)(Cc3ccccc3)CC2)c1
InChIInChI=1S/C26H28N2O2/c1-19-8-9-23(22-10-13-27-20(2)17-22)24(16-19)25(29)28-14-11-26(30,12-15-28)18-21-6-4-3-5-7-21/h3-10,13,16-17,30H,11-12,14-15,18H2,1-2H3
InChIKeyXOLGYAQPQLGXGZ-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.58
Rot. Bonds4

About (4-benzyl-4-hydroxypiperidin-1-yl)-[5-methyl-2-(2-methyl-4-pyridinyl)phenyl]methanone

(4-benzyl-4-hydroxypiperidin-1-yl)-[5-methyl-2-(2-methyl-4-pyridinyl)phenyl]methanone (PubChem CID 171353815) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is (4-benzyl-4-hydroxypiperidin-1-yl)-[5-methyl-2-(2-methyl-4-pyridinyl)phenyl]methanone.

Molecular Properties

Compound Name(4-benzyl-4-hydroxypiperidin-1-yl)-[5-methyl-2-(2-methyl-4-pyridinyl)phenyl]methanone
PubChem CID171353815
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name(4-benzyl-4-hydroxypiperidin-1-yl)-[5-methyl-2-(2-methyl-4-pyridinyl)phenyl]methanone
SMILESCc1ccc(-c2ccnc(C)c2)c(C(=O)N2CCC(O)(Cc3ccccc3)CC2)c1
InChIInChI=1S/C26H28N2O2/c1-19-8-9-23(22-10-13-27-20(2)17-22)24(16-19)25(29)28-14-11-26(30,12-15-28)18-21-6-4-3-5-7-21/h3-10,13,16-17,30H,11-12,14-15,18H2,1-2H3
InChIKeyXOLGYAQPQLGXGZ-UHFFFAOYSA-N
XLogP4.58
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-benzyl-4-hydroxypiperidin-1-yl)-[5-methyl-2-(2-methyl-4-pyridinyl)phenyl]methanone?
The IUPAC name of (4-benzyl-4-hydroxypiperidin-1-yl)-[5-methyl-2-(2-methyl-4-pyridinyl)phenyl]methanone (CID 171353815) is (4-benzyl-4-hydroxypiperidin-1-yl)-[5-methyl-2-(2-methyl-4-pyridinyl)phenyl]methanone.
What is the SMILES notation for (4-benzyl-4-hydroxypiperidin-1-yl)-[5-methyl-2-(2-methyl-4-pyridinyl)phenyl]methanone?
The canonical SMILES for (4-benzyl-4-hydroxypiperidin-1-yl)-[5-methyl-2-(2-methyl-4-pyridinyl)phenyl]methanone is Cc1ccc(-c2ccnc(C)c2)c(C(=O)N2CCC(O)(Cc3ccccc3)CC2)c1.
What is the InChIKey of (4-benzyl-4-hydroxypiperidin-1-yl)-[5-methyl-2-(2-methyl-4-pyridinyl)phenyl]methanone?
The InChIKey is XOLGYAQPQLGXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-19-8-9-23(22-10-13-27-20(2)17-22)24(16-19)25(29)28-14-11-26(30,12-15-28)18-21-6-4-3-5-7-21/h3-10,13,16-17,30H,11-12,14-15,18H2,1-2H3.
What are the key properties of (4-benzyl-4-hydroxypiperidin-1-yl)-[5-methyl-2-(2-methyl-4-pyridinyl)phenyl]methanone?
(4-benzyl-4-hydroxypiperidin-1-yl)-[5-methyl-2-(2-methyl-4-pyridinyl)phenyl]methanone has a molecular weight of 400.52 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-4-hydroxypiperidin-1-yl)-[5-methyl-2-(2-methyl-4-pyridinyl)phenyl]methanone is sourced from PubChem (CID 171353815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).