1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[(4-hydroxypiperidin-1-yl)methyl]piperidin-2-one

C19H27FN2O4 — CID 56754466

About 1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[(4-hydroxypiperidin-1-yl)methyl]piperidin-2-one

1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[(4-hydroxypiperidin-1-yl)methyl]piperidin-2-one (PubChem CID 56754466) has the molecular formula C19H27FN2O4 and a molecular weight of 366.43 g/mol. Its IUPAC name is 1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[(4-hydroxypiperidin-1-yl)methyl]piperidin-2-one.

Molecular Properties

• Compound Name: 1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[(4-hydroxypiperidin-1-yl)methyl]piperidin-2-one
• PubChem CID: 56754466
• Molecular Formula: C19H27FN2O4
• Molecular Weight: 366.43 g/mol
• Exact Mass: 366.20
• IUPAC Name: 1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[(4-hydroxypiperidin-1-yl)methyl]piperidin-2-one
• SMILES: COc1ccc(F)c(CN2CCCC(O)(CN3CCC(O)CC3)C2=O)c1
• InChI: InChI=1S/C19H27FN2O4/c1-26-16-3-4-17(20)14(11-16)12-22-8-2-7-19(25,18(22)24)13-21-9-5-15(23)6-10-21/h3-4,11,15,23,25H,2,5-10,12-13H2,1H3
• InChIKey: DCXIPOAODVVKGJ-UHFFFAOYSA-N
• XLogP: 1.14
• TPSA: 73.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.43
LogP ≤ 5	1.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[(4-hydroxypiperidin-1-yl)methyl]piperidin-2-one?

The IUPAC name of 1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[(4-hydroxypiperidin-1-yl)methyl]piperidin-2-one (CID 56754466) is 1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[(4-hydroxypiperidin-1-yl)methyl]piperidin-2-one.

What is the SMILES notation for 1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[(4-hydroxypiperidin-1-yl)methyl]piperidin-2-one?

The canonical SMILES for 1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[(4-hydroxypiperidin-1-yl)methyl]piperidin-2-one is COc1ccc(F)c(CN2CCCC(O)(CN3CCC(O)CC3)C2=O)c1.

What is the InChIKey of 1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[(4-hydroxypiperidin-1-yl)methyl]piperidin-2-one?

The InChIKey is DCXIPOAODVVKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O4/c1-26-16-3-4-17(20)14(11-16)12-22-8-2-7-19(25,18(22)24)13-21-9-5-15(23)6-10-21/h3-4,11,15,23,25H,2,5-10,12-13H2,1H3.

What are the key properties of 1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[(4-hydroxypiperidin-1-yl)methyl]piperidin-2-one?

1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[(4-hydroxypiperidin-1-yl)methyl]piperidin-2-one has a molecular weight of 366.43 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[(4-hydroxypiperidin-1-yl)methyl]piperidin-2-one is sourced from PubChem (CID 56754466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).