(3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid

C18H28N2O3 — CID 163316724

About (3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid

(3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid (PubChem CID 163316724) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is (3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

• Compound Name: (3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
• PubChem CID: 163316724
• Molecular Formula: C18H28N2O3
• Molecular Weight: 320.43 g/mol
• Exact Mass: 320.21
• IUPAC Name: (3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
• SMILES: Cc1cccc(CN2CC[C@@H](O)[C@](CCC(C)C)(C(=O)O)C2)n1
• InChI: InChI=1S/C18H28N2O3/c1-13(2)7-9-18(17(22)23)12-20(10-8-16(18)21)11-15-6-4-5-14(3)19-15/h4-6,13,16,21H,7-12H2,1-3H3,(H,22,23)/t16-,18-/m1/s1
• InChIKey: NBGSADYJMRSEJT-SJLPKXTDSA-N
• XLogP: 2.46
• TPSA: 73.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	320.43
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid?

The IUPAC name of (3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid (CID 163316724) is (3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid.

What is the SMILES notation for (3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid?

The canonical SMILES for (3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid is Cc1cccc(CN2CC[C@@H](O)[C@](CCC(C)C)(C(=O)O)C2)n1.

What is the InChIKey of (3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid?

The InChIKey is NBGSADYJMRSEJT-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13(2)7-9-18(17(22)23)12-20(10-8-16(18)21)11-15-6-4-5-14(3)19-15/h4-6,13,16,21H,7-12H2,1-3H3,(H,22,23)/t16-,18-/m1/s1.

What are the key properties of (3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid?

(3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid has a molecular weight of 320.43 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 163316724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).