(3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-carboxylic acid

C20H23FN2O4 — CID 164689332

About (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-carboxylic acid

(3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-carboxylic acid (PubChem CID 164689332) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

• Compound Name: (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-carboxylic acid
• PubChem CID: 164689332
• Molecular Formula: C20H23FN2O4
• Molecular Weight: 374.41 g/mol
• Exact Mass: 374.16
• IUPAC Name: (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-carboxylic acid
• SMILES: COc1cc(CN2CC[C@@H](O)[C@](Cc3ccc(F)cc3)(C(=O)O)C2)ccn1
• InChI: InChI=1S/C20H23FN2O4/c1-27-18-10-15(6-8-22-18)12-23-9-7-17(24)20(13-23,19(25)26)11-14-2-4-16(21)5-3-14/h2-6,8,10,17,24H,7,9,11-13H2,1H3,(H,25,26)/t17-,20-/m1/s1
• InChIKey: JZIBBKOWVSNJOO-YLJYHZDGSA-N
• XLogP: 2.11
• TPSA: 82.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.41
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-carboxylic acid?

The IUPAC name of (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-carboxylic acid (CID 164689332) is (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-carboxylic acid.

What is the SMILES notation for (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-carboxylic acid?

The canonical SMILES for (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-carboxylic acid is COc1cc(CN2CC[C@@H](O)[C@](Cc3ccc(F)cc3)(C(=O)O)C2)ccn1.

What is the InChIKey of (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-carboxylic acid?

The InChIKey is JZIBBKOWVSNJOO-YLJYHZDGSA-N. The full InChI is InChI=1S/C20H23FN2O4/c1-27-18-10-15(6-8-22-18)12-23-9-7-17(24)20(13-23,19(25)26)11-14-2-4-16(21)5-3-14/h2-6,8,10,17,24H,7,9,11-13H2,1H3,(H,25,26)/t17-,20-/m1/s1.

What are the key properties of (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-carboxylic acid?

(3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-carboxylic acid has a molecular weight of 374.41 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 164689332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).