2,2-dimethyl-3-[4-[2-(7-methyl-6-propoxy-1,2-benzoxazol-3-yl)ethyl]piperidin-1-yl]propan-1-ol

C23H36N2O3 — CID 68917848

About 2,2-dimethyl-3-[4-[2-(7-methyl-6-propoxy-1,2-benzoxazol-3-yl)ethyl]piperidin-1-yl]propan-1-ol

2,2-dimethyl-3-[4-[2-(7-methyl-6-propoxy-1,2-benzoxazol-3-yl)ethyl]piperidin-1-yl]propan-1-ol (PubChem CID 68917848) has the molecular formula C23H36N2O3 and a molecular weight of 388.55 g/mol. Its IUPAC name is 2,2-dimethyl-3-[4-[2-(7-methyl-6-propoxy-1,2-benzoxazol-3-yl)ethyl]piperidin-1-yl]propan-1-ol.

Molecular Properties

• Compound Name: 2,2-dimethyl-3-[4-[2-(7-methyl-6-propoxy-1,2-benzoxazol-3-yl)ethyl]piperidin-1-yl]propan-1-ol
• PubChem CID: 68917848
• Molecular Formula: C23H36N2O3
• Molecular Weight: 388.55 g/mol
• Exact Mass: 388.27
• IUPAC Name: 2,2-dimethyl-3-[4-[2-(7-methyl-6-propoxy-1,2-benzoxazol-3-yl)ethyl]piperidin-1-yl]propan-1-ol
• SMILES: CCCOc1ccc2c(CCC3CCN(CC(C)(C)CO)CC3)noc2c1C
• InChI: InChI=1S/C23H36N2O3/c1-5-14-27-21-9-7-19-20(24-28-22(19)17(21)2)8-6-18-10-12-25(13-11-18)15-23(3,4)16-26/h7,9,18,26H,5-6,8,10-16H2,1-4H3
• InChIKey: JIIYPEBTEFAIMY-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 58.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.55
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[4-[2-(7-methyl-6-propoxy-1,2-benzoxazol-3-yl)ethyl]piperidin-1-yl]propan-1-ol?

The IUPAC name of 2,2-dimethyl-3-[4-[2-(7-methyl-6-propoxy-1,2-benzoxazol-3-yl)ethyl]piperidin-1-yl]propan-1-ol (CID 68917848) is 2,2-dimethyl-3-[4-[2-(7-methyl-6-propoxy-1,2-benzoxazol-3-yl)ethyl]piperidin-1-yl]propan-1-ol.

What is the SMILES notation for 2,2-dimethyl-3-[4-[2-(7-methyl-6-propoxy-1,2-benzoxazol-3-yl)ethyl]piperidin-1-yl]propan-1-ol?

The canonical SMILES for 2,2-dimethyl-3-[4-[2-(7-methyl-6-propoxy-1,2-benzoxazol-3-yl)ethyl]piperidin-1-yl]propan-1-ol is CCCOc1ccc2c(CCC3CCN(CC(C)(C)CO)CC3)noc2c1C.

What is the InChIKey of 2,2-dimethyl-3-[4-[2-(7-methyl-6-propoxy-1,2-benzoxazol-3-yl)ethyl]piperidin-1-yl]propan-1-ol?

The InChIKey is JIIYPEBTEFAIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O3/c1-5-14-27-21-9-7-19-20(24-28-22(19)17(21)2)8-6-18-10-12-25(13-11-18)15-23(3,4)16-26/h7,9,18,26H,5-6,8,10-16H2,1-4H3.

What are the key properties of 2,2-dimethyl-3-[4-[2-(7-methyl-6-propoxy-1,2-benzoxazol-3-yl)ethyl]piperidin-1-yl]propan-1-ol?

2,2-dimethyl-3-[4-[2-(7-methyl-6-propoxy-1,2-benzoxazol-3-yl)ethyl]piperidin-1-yl]propan-1-ol has a molecular weight of 388.55 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-3-[4-[2-(7-methyl-6-propoxy-1,2-benzoxazol-3-yl)ethyl]piperidin-1-yl]propan-1-ol is sourced from PubChem (CID 68917848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).