1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride

C23H36Cl2N2O2 — CID 16832259

About 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride

1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride (PubChem CID 16832259) has the molecular formula C23H36Cl2N2O2 and a molecular weight of 443.46 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride.

Molecular Properties

• Compound Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride
• PubChem CID: 16832259
• Molecular Formula: C23H36Cl2N2O2
• Molecular Weight: 443.46 g/mol
• Exact Mass: 442.22
• IUPAC Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride
• SMILES: CC1(C)C2CCC1(C)C(OCC(O)CN1CCN(c3cccc(Cl)c3)CC1)C2.Cl
• InChI: InChI=1S/C23H35ClN2O2.ClH/c1-22(2)17-7-8-23(22,3)21(13-17)28-16-20(27)15-25-9-11-26(12-10-25)19-6-4-5-18(24)14-19;/h4-6,14,17,20-21,27H,7-13,15-16H2,1-3H3;1H
• InChIKey: DQANHCPBAAJJQP-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 35.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.46
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride?

The IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride (CID 16832259) is 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride.

What is the SMILES notation for 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride?

The canonical SMILES for 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride is CC1(C)C2CCC1(C)C(OCC(O)CN1CCN(c3cccc(Cl)c3)CC1)C2.Cl.

What is the InChIKey of 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride?

The InChIKey is DQANHCPBAAJJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35ClN2O2.ClH/c1-22(2)17-7-8-23(22,3)21(13-17)28-16-20(27)15-25-9-11-26(12-10-25)19-6-4-5-18(24)14-19;/h4-6,14,17,20-21,27H,7-13,15-16H2,1-3H3;1H.

What are the key properties of 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride?

1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride has a molecular weight of 443.46 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride is sourced from PubChem (CID 16832259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).