(4-benzyl-4-hydroxypiperidin-1-yl)-(4-methyl-2-pyridin-4-ylphenyl)methanone

C25H26N2O2 — CID 89491774

IUPAC(4-benzyl-4-hydroxypiperidin-1-yl)-(4-methyl-2-pyridin-4-ylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(O)(Cc3ccccc3)CC2)c(-c2ccncc2)c1
InChIInChI=1S/C25H26N2O2/c1-19-7-8-22(23(17-19)21-9-13-26-14-10-21)24(28)27-15-11-25(29,12-16-27)18-20-5-3-2-4-6-20/h2-10,13-14,17,29H,11-12,15-16,18H2,1H3
InChIKeyWVTLCXCEJHQFNU-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.27
Rot. Bonds4

About (4-benzyl-4-hydroxypiperidin-1-yl)-(4-methyl-2-pyridin-4-ylphenyl)methanone

(4-benzyl-4-hydroxypiperidin-1-yl)-(4-methyl-2-pyridin-4-ylphenyl)methanone (PubChem CID 89491774) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is (4-benzyl-4-hydroxypiperidin-1-yl)-(4-methyl-2-pyridin-4-ylphenyl)methanone.

Molecular Properties

Compound Name(4-benzyl-4-hydroxypiperidin-1-yl)-(4-methyl-2-pyridin-4-ylphenyl)methanone
PubChem CID89491774
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name(4-benzyl-4-hydroxypiperidin-1-yl)-(4-methyl-2-pyridin-4-ylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(O)(Cc3ccccc3)CC2)c(-c2ccncc2)c1
InChIInChI=1S/C25H26N2O2/c1-19-7-8-22(23(17-19)21-9-13-26-14-10-21)24(28)27-15-11-25(29,12-16-27)18-20-5-3-2-4-6-20/h2-10,13-14,17,29H,11-12,15-16,18H2,1H3
InChIKeyWVTLCXCEJHQFNU-UHFFFAOYSA-N
XLogP4.27
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.27
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)-(4-methyl-2-pyridin-4-ylphenyl)methanone?
The IUPAC name of (4-benzyl-4-hydroxypiperidin-1-yl)-(4-methyl-2-pyridin-4-ylphenyl)methanone (CID 89491774) is (4-benzyl-4-hydroxypiperidin-1-yl)-(4-methyl-2-pyridin-4-ylphenyl)methanone.
What is the SMILES notation for (4-benzyl-4-hydroxypiperidin-1-yl)-(4-methyl-2-pyridin-4-ylphenyl)methanone?
The canonical SMILES for (4-benzyl-4-hydroxypiperidin-1-yl)-(4-methyl-2-pyridin-4-ylphenyl)methanone is Cc1ccc(C(=O)N2CCC(O)(Cc3ccccc3)CC2)c(-c2ccncc2)c1.
What is the InChIKey of (4-benzyl-4-hydroxypiperidin-1-yl)-(4-methyl-2-pyridin-4-ylphenyl)methanone?
The InChIKey is WVTLCXCEJHQFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-19-7-8-22(23(17-19)21-9-13-26-14-10-21)24(28)27-15-11-25(29,12-16-27)18-20-5-3-2-4-6-20/h2-10,13-14,17,29H,11-12,15-16,18H2,1H3.
What are the key properties of (4-benzyl-4-hydroxypiperidin-1-yl)-(4-methyl-2-pyridin-4-ylphenyl)methanone?
(4-benzyl-4-hydroxypiperidin-1-yl)-(4-methyl-2-pyridin-4-ylphenyl)methanone has a molecular weight of 386.50 g/mol, XLogP of 4.27, 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)-(4-methyl-2-pyridin-4-ylphenyl)methanone is sourced from PubChem (CID 89491774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).