1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride

C23H32ClFN2O2 — CID 126476541

About 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride

1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride (PubChem CID 126476541) has the molecular formula C23H32ClFN2O2 and a molecular weight of 422.97 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride.

Molecular Properties

• Compound Name: 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride
• PubChem CID: 126476541
• Molecular Formula: C23H32ClFN2O2
• Molecular Weight: 422.97 g/mol
• Exact Mass: 422.21
• IUPAC Name: 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride
• SMILES: Cc1cc(OCC(O)CN2CCN(c3ccccc3F)CC2)ccc1C(C)C.Cl
• InChI: InChI=1S/C23H31FN2O2.ClH/c1-17(2)21-9-8-20(14-18(21)3)28-16-19(27)15-25-10-12-26(13-11-25)23-7-5-4-6-22(23)24;/h4-9,14,17,19,27H,10-13,15-16H2,1-3H3;1H
• InChIKey: PVTIXFGXQSNZQQ-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 35.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.97
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride?

The IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride (CID 126476541) is 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride.

What is the SMILES notation for 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride?

The canonical SMILES for 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride is Cc1cc(OCC(O)CN2CCN(c3ccccc3F)CC2)ccc1C(C)C.Cl.

What is the InChIKey of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride?

The InChIKey is PVTIXFGXQSNZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN2O2.ClH/c1-17(2)21-9-8-20(14-18(21)3)28-16-19(27)15-25-10-12-26(13-11-25)23-7-5-4-6-22(23)24;/h4-9,14,17,19,27H,10-13,15-16H2,1-3H3;1H.

What are the key properties of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride?

1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride has a molecular weight of 422.97 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride is sourced from PubChem (CID 126476541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).