[3-(naphthalen-2-ylmethoxy)-4-[4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]phenyl]piperidin-1-yl]methanol

C33H33N3O3 — CID 56982232

About [3-(naphthalen-2-ylmethoxy)-4-[4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]phenyl]piperidin-1-yl]methanol

[3-(naphthalen-2-ylmethoxy)-4-[4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]phenyl]piperidin-1-yl]methanol (PubChem CID 56982232) has the molecular formula C33H33N3O3 and a molecular weight of 519.65 g/mol. Its IUPAC name is [3-(naphthalen-2-ylmethoxy)-4-[4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]phenyl]piperidin-1-yl]methanol.

Molecular Properties

• Compound Name: [3-(naphthalen-2-ylmethoxy)-4-[4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]phenyl]piperidin-1-yl]methanol
• PubChem CID: 56982232
• Molecular Formula: C33H33N3O3
• Molecular Weight: 519.65 g/mol
• Exact Mass: 519.25
• IUPAC Name: [3-(naphthalen-2-ylmethoxy)-4-[4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]phenyl]piperidin-1-yl]methanol
• SMILES: OCN1CCC(c2ccc(CCc3noc(-c4ccccc4)n3)cc2)C(OCc2ccc3ccccc3c2)C1
• InChI: InChI=1S/C33H33N3O3/c37-23-36-19-18-30(31(21-36)38-22-25-12-14-26-6-4-5-9-29(26)20-25)27-15-10-24(11-16-27)13-17-32-34-33(39-35-32)28-7-2-1-3-8-28/h1-12,14-16,20,30-31,37H,13,17-19,21-23H2
• InChIKey: MOGZSAVQBUTAEC-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 71.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.65
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [3-(naphthalen-2-ylmethoxy)-4-[4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]phenyl]piperidin-1-yl]methanol?

The IUPAC name of [3-(naphthalen-2-ylmethoxy)-4-[4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]phenyl]piperidin-1-yl]methanol (CID 56982232) is [3-(naphthalen-2-ylmethoxy)-4-[4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]phenyl]piperidin-1-yl]methanol.

What is the SMILES notation for [3-(naphthalen-2-ylmethoxy)-4-[4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]phenyl]piperidin-1-yl]methanol?

The canonical SMILES for [3-(naphthalen-2-ylmethoxy)-4-[4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]phenyl]piperidin-1-yl]methanol is OCN1CCC(c2ccc(CCc3noc(-c4ccccc4)n3)cc2)C(OCc2ccc3ccccc3c2)C1.

What is the InChIKey of [3-(naphthalen-2-ylmethoxy)-4-[4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]phenyl]piperidin-1-yl]methanol?

The InChIKey is MOGZSAVQBUTAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N3O3/c37-23-36-19-18-30(31(21-36)38-22-25-12-14-26-6-4-5-9-29(26)20-25)27-15-10-24(11-16-27)13-17-32-34-33(39-35-32)28-7-2-1-3-8-28/h1-12,14-16,20,30-31,37H,13,17-19,21-23H2.

What are the key properties of [3-(naphthalen-2-ylmethoxy)-4-[4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]phenyl]piperidin-1-yl]methanol?

[3-(naphthalen-2-ylmethoxy)-4-[4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]phenyl]piperidin-1-yl]methanol has a molecular weight of 519.65 g/mol, XLogP of 6.00, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(naphthalen-2-ylmethoxy)-4-[4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]phenyl]piperidin-1-yl]methanol is sourced from PubChem (CID 56982232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).