(3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid

C20H23FN2O3 — CID 164689840

About (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid

(3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid (PubChem CID 164689840) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

• Compound Name: (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
• PubChem CID: 164689840
• Molecular Formula: C20H23FN2O3
• Molecular Weight: 358.41 g/mol
• Exact Mass: 358.17
• IUPAC Name: (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
• SMILES: Cc1ccc(CN2CC[C@@H](O)[C@](Cc3ccc(F)cc3)(C(=O)O)C2)nc1
• InChI: InChI=1S/C20H23FN2O3/c1-14-2-7-17(22-11-14)12-23-9-8-18(24)20(13-23,19(25)26)10-15-3-5-16(21)6-4-15/h2-7,11,18,24H,8-10,12-13H2,1H3,(H,25,26)/t18-,20-/m1/s1
• InChIKey: MRPGIVQOAJPEKJ-UYAOXDASSA-N
• XLogP: 2.41
• TPSA: 73.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.41
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid?

The IUPAC name of (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid (CID 164689840) is (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid.

What is the SMILES notation for (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid?

The canonical SMILES for (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid is Cc1ccc(CN2CC[C@@H](O)[C@](Cc3ccc(F)cc3)(C(=O)O)C2)nc1.

What is the InChIKey of (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid?

The InChIKey is MRPGIVQOAJPEKJ-UYAOXDASSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-14-2-7-17(22-11-14)12-23-9-8-18(24)20(13-23,19(25)26)10-15-3-5-16(21)6-4-15/h2-7,11,18,24H,8-10,12-13H2,1H3,(H,25,26)/t18-,20-/m1/s1.

What are the key properties of (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid?

(3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid has a molecular weight of 358.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 164689840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).