(2R)-1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-4-phenylbutan-2-ol;oxalic acid

C32H37F2NO6 — CID 11664161

About (2R)-1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-4-phenylbutan-2-ol;oxalic acid

(2R)-1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-4-phenylbutan-2-ol;oxalic acid (PubChem CID 11664161) has the molecular formula C32H37F2NO6 and a molecular weight of 569.65 g/mol. Its IUPAC name is (2R)-1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-4-phenylbutan-2-ol;oxalic acid.

Molecular Properties

• Compound Name: (2R)-1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-4-phenylbutan-2-ol;oxalic acid
• PubChem CID: 11664161
• Molecular Formula: C32H37F2NO6
• Molecular Weight: 569.65 g/mol
• Exact Mass: 569.26
• IUPAC Name: (2R)-1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-4-phenylbutan-2-ol;oxalic acid
• SMILES: O=C(O)C(=O)O.O[C@H](CCc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
• InChI: InChI=1S/C30H35F2NO2.C2H2O4/c31-27-11-7-25(8-12-27)30(26-9-13-28(32)14-10-26)35-21-18-24-16-19-33(20-17-24)22-29(34)15-6-23-4-2-1-3-5-23;3-1(4)2(5)6/h1-5,7-14,24,29-30,34H,6,15-22H2;(H,3,4)(H,5,6)/t29-;/m1./s1
• InChIKey: XBIRPUDVQBQYMW-XXIQNXCHSA-N
• XLogP: 5.32
• TPSA: 107.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.65
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-4-phenylbutan-2-ol;oxalic acid?

The IUPAC name of (2R)-1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-4-phenylbutan-2-ol;oxalic acid (CID 11664161) is (2R)-1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-4-phenylbutan-2-ol;oxalic acid.

What is the SMILES notation for (2R)-1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-4-phenylbutan-2-ol;oxalic acid?

The canonical SMILES for (2R)-1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-4-phenylbutan-2-ol;oxalic acid is O=C(O)C(=O)O.O[C@H](CCc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.

What is the InChIKey of (2R)-1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-4-phenylbutan-2-ol;oxalic acid?

The InChIKey is XBIRPUDVQBQYMW-XXIQNXCHSA-N. The full InChI is InChI=1S/C30H35F2NO2.C2H2O4/c31-27-11-7-25(8-12-27)30(26-9-13-28(32)14-10-26)35-21-18-24-16-19-33(20-17-24)22-29(34)15-6-23-4-2-1-3-5-23;3-1(4)2(5)6/h1-5,7-14,24,29-30,34H,6,15-22H2;(H,3,4)(H,5,6)/t29-;/m1./s1.

What are the key properties of (2R)-1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-4-phenylbutan-2-ol;oxalic acid?

(2R)-1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-4-phenylbutan-2-ol;oxalic acid has a molecular weight of 569.65 g/mol, XLogP of 5.32, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-4-phenylbutan-2-ol;oxalic acid is sourced from PubChem (CID 11664161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).