1-(4-phenylpiperazin-1-yl)-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol

C23H36N2O2 — CID 3404650

About 1-(4-phenylpiperazin-1-yl)-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol

1-(4-phenylpiperazin-1-yl)-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol (PubChem CID 3404650) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is 1-(4-phenylpiperazin-1-yl)-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-(4-phenylpiperazin-1-yl)-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol
• PubChem CID: 3404650
• Molecular Formula: C23H36N2O2
• Molecular Weight: 372.55 g/mol
• Exact Mass: 372.28
• IUPAC Name: 1-(4-phenylpiperazin-1-yl)-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol
• SMILES: CC12CCC(C1)C(C)(C)C2OCC(O)CN1CCN(c2ccccc2)CC1
• InChI: InChI=1S/C23H36N2O2/c1-22(2)18-9-10-23(3,15-18)21(22)27-17-20(26)16-24-11-13-25(14-12-24)19-7-5-4-6-8-19/h4-8,18,20-21,26H,9-17H2,1-3H3
• InChIKey: MEQDLZDIBGJZGI-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 35.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.55
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpiperazin-1-yl)-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol?

The IUPAC name of 1-(4-phenylpiperazin-1-yl)-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol (CID 3404650) is 1-(4-phenylpiperazin-1-yl)-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol.

What is the SMILES notation for 1-(4-phenylpiperazin-1-yl)-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol?

The canonical SMILES for 1-(4-phenylpiperazin-1-yl)-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol is CC12CCC(C1)C(C)(C)C2OCC(O)CN1CCN(c2ccccc2)CC1.

What is the InChIKey of 1-(4-phenylpiperazin-1-yl)-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol?

The InChIKey is MEQDLZDIBGJZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O2/c1-22(2)18-9-10-23(3,15-18)21(22)27-17-20(26)16-24-11-13-25(14-12-24)19-7-5-4-6-8-19/h4-8,18,20-21,26H,9-17H2,1-3H3.

What are the key properties of 1-(4-phenylpiperazin-1-yl)-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol?

1-(4-phenylpiperazin-1-yl)-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol has a molecular weight of 372.55 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-phenylpiperazin-1-yl)-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol is sourced from PubChem (CID 3404650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).