5-methyl-6-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]pyridine-3-carboxylic acid

C31H33N3O2 — CID 59178747

About 5-methyl-6-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]pyridine-3-carboxylic acid

5-methyl-6-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 59178747) has the molecular formula C31H33N3O2 and a molecular weight of 479.62 g/mol. Its IUPAC name is 5-methyl-6-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-methyl-6-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]pyridine-3-carboxylic acid
• PubChem CID: 59178747
• Molecular Formula: C31H33N3O2
• Molecular Weight: 479.62 g/mol
• Exact Mass: 479.26
• IUPAC Name: 5-methyl-6-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]pyridine-3-carboxylic acid
• SMILES: Cc1cc(C(=O)O)cnc1N1CCC(CN[C@H](C)c2cccc3ccccc23)C(c2ccccc2)C1
• InChI: InChI=1S/C31H33N3O2/c1-21-17-26(31(35)36)19-33-30(21)34-16-15-25(29(20-34)24-9-4-3-5-10-24)18-32-22(2)27-14-8-12-23-11-6-7-13-28(23)27/h3-14,17,19,22,25,29,32H,15-16,18,20H2,1-2H3,(H,35,36)/t22-,25?,29?/m1/s1
• InChIKey: AQVFEAAXTLRSDW-URZATXOXSA-N
• XLogP: 6.20
• TPSA: 65.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.62
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]pyridine-3-carboxylic acid?

The IUPAC name of 5-methyl-6-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]pyridine-3-carboxylic acid (CID 59178747) is 5-methyl-6-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]pyridine-3-carboxylic acid.

What is the SMILES notation for 5-methyl-6-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]pyridine-3-carboxylic acid?

The canonical SMILES for 5-methyl-6-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]pyridine-3-carboxylic acid is Cc1cc(C(=O)O)cnc1N1CCC(CN[C@H](C)c2cccc3ccccc23)C(c2ccccc2)C1.

What is the InChIKey of 5-methyl-6-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]pyridine-3-carboxylic acid?

The InChIKey is AQVFEAAXTLRSDW-URZATXOXSA-N. The full InChI is InChI=1S/C31H33N3O2/c1-21-17-26(31(35)36)19-33-30(21)34-16-15-25(29(20-34)24-9-4-3-5-10-24)18-32-22(2)27-14-8-12-23-11-6-7-13-28(23)27/h3-14,17,19,22,25,29,32H,15-16,18,20H2,1-2H3,(H,35,36)/t22-,25?,29?/m1/s1.

What are the key properties of 5-methyl-6-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]pyridine-3-carboxylic acid?

5-methyl-6-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 479.62 g/mol, XLogP of 6.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-6-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 59178747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).