1-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone

C23H31N3O2 — CID 133127141

About 1-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone

1-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone (PubChem CID 133127141) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone.

Molecular Properties

• Compound Name: 1-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone
• PubChem CID: 133127141
• Molecular Formula: C23H31N3O2
• Molecular Weight: 381.52 g/mol
• Exact Mass: 381.24
• IUPAC Name: 1-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone
• SMILES: CN(CC(=O)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1)C1CCNCC1
• InChI: InChI=1S/C23H31N3O2/c1-25(20-8-11-24-12-9-20)16-23(28)26-13-10-21(22(27)15-26)19-7-6-17-4-2-3-5-18(17)14-19/h2-7,14,20-22,24,27H,8-13,15-16H2,1H3/t21-,22+/m1/s1
• InChIKey: PLGITQCACIIDSF-YADHBBJMSA-N
• XLogP: 2.20
• TPSA: 55.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.52
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone?

The IUPAC name of 1-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone (CID 133127141) is 1-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone.

What is the SMILES notation for 1-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone?

The canonical SMILES for 1-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone is CN(CC(=O)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1)C1CCNCC1.

What is the InChIKey of 1-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone?

The InChIKey is PLGITQCACIIDSF-YADHBBJMSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-25(20-8-11-24-12-9-20)16-23(28)26-13-10-21(22(27)15-26)19-7-6-17-4-2-3-5-18(17)14-19/h2-7,14,20-22,24,27H,8-13,15-16H2,1H3/t21-,22+/m1/s1.

What are the key properties of 1-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone?

1-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone has a molecular weight of 381.52 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone is sourced from PubChem (CID 133127141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).