piperidin-4-ylmethanol;3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanal;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-[1-[3-[4-(hydroxymethyl)piperidin-1-yl]propyl]indol-3-yl]ethanol

C64H64F8N8O5 — CID 159320342

About piperidin-4-ylmethanol;3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanal;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-[1-[3-[4-(hydroxymethyl)piperidin-1-yl]propyl]indol-3-yl]ethanol

piperidin-4-ylmethanol;3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanal;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-[1-[3-[4-(hydroxymethyl)piperidin-1-yl]propyl]indol-3-yl]ethanol (PubChem CID 159320342) has the molecular formula C64H64F8N8O5 and a molecular weight of 1177.25 g/mol. Its IUPAC name is piperidin-4-ylmethanol;3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanal;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-[1-[3-[4-(hydroxymethyl)piperidin-1-yl]propyl]indol-3-yl]ethanol.

Molecular Properties

• Compound Name: piperidin-4-ylmethanol;3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanal;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-[1-[3-[4-(hydroxymethyl)piperidin-1-yl]propyl]indol-3-yl]ethanol
• PubChem CID: 159320342
• Molecular Formula: C64H64F8N8O5
• Molecular Weight: 1177.25 g/mol
• Exact Mass: 1176.49
• IUPAC Name: piperidin-4-ylmethanol;3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanal;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-[1-[3-[4-(hydroxymethyl)piperidin-1-yl]propyl]indol-3-yl]ethanol
• SMILES: O=CCCn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2ccccc21.OCC1CCN(CCCn2cc(C(O)(c3ccc4c(cnn4-c4ccc(F)cc4)c3)C(F)(F)F)c3ccccc32)CC1.OCC1CCNCC1
• InChI: InChI=1S/C32H32F4N4O2.C26H19F4N3O2.C6H13NO/c33-25-7-9-26(10-8-25)40-29-11-6-24(18-23(29)19-37-40)31(42,32(34,35)36)28-20-39(30-5-2-1-4-27(28)30)15-3-14-38-16-12-22(21-41)13-17-38;27-19-7-9-20(10-8-19)33-23-11-6-18(14-17(23)15-31-33)25(35,26(28,29)30)22-16-32(12-3-13-34)24-5-2-1-4-21(22)24;8-5-6-1-3-7-4-2-6/h1-2,4-11,18-20,22,41-42H,3,12-17,21H2;1-2,4-11,13-16,35H,3,12H2;6-8H,1-5H2
• InChIKey: LDRHNZXCMHEVTI-UHFFFAOYSA-N
• XLogP: 11.50
• TPSA: 158.76 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1177.25
LogP ≤ 5	11.50
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of piperidin-4-ylmethanol;3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanal;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-[1-[3-[4-(hydroxymethyl)piperidin-1-yl]propyl]indol-3-yl]ethanol?

The IUPAC name of piperidin-4-ylmethanol;3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanal;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-[1-[3-[4-(hydroxymethyl)piperidin-1-yl]propyl]indol-3-yl]ethanol (CID 159320342) is piperidin-4-ylmethanol;3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanal;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-[1-[3-[4-(hydroxymethyl)piperidin-1-yl]propyl]indol-3-yl]ethanol.

What is the SMILES notation for piperidin-4-ylmethanol;3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanal;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-[1-[3-[4-(hydroxymethyl)piperidin-1-yl]propyl]indol-3-yl]ethanol?

The canonical SMILES for piperidin-4-ylmethanol;3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanal;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-[1-[3-[4-(hydroxymethyl)piperidin-1-yl]propyl]indol-3-yl]ethanol is O=CCCn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2ccccc21.OCC1CCN(CCCn2cc(C(O)(c3ccc4c(cnn4-c4ccc(F)cc4)c3)C(F)(F)F)c3ccccc32)CC1.OCC1CCNCC1.

What is the InChIKey of piperidin-4-ylmethanol;3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanal;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-[1-[3-[4-(hydroxymethyl)piperidin-1-yl]propyl]indol-3-yl]ethanol?

The InChIKey is LDRHNZXCMHEVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F4N4O2.C26H19F4N3O2.C6H13NO/c33-25-7-9-26(10-8-25)40-29-11-6-24(18-23(29)19-37-40)31(42,32(34,35)36)28-20-39(30-5-2-1-4-27(28)30)15-3-14-38-16-12-22(21-41)13-17-38;27-19-7-9-20(10-8-19)33-23-11-6-18(14-17(23)15-31-33)25(35,26(28,29)30)22-16-32(12-3-13-34)24-5-2-1-4-21(22)24;8-5-6-1-3-7-4-2-6/h1-2,4-11,18-20,22,41-42H,3,12-17,21H2;1-2,4-11,13-16,35H,3,12H2;6-8H,1-5H2.

What are the key properties of piperidin-4-ylmethanol;3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanal;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-[1-[3-[4-(hydroxymethyl)piperidin-1-yl]propyl]indol-3-yl]ethanol?

piperidin-4-ylmethanol;3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanal;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-[1-[3-[4-(hydroxymethyl)piperidin-1-yl]propyl]indol-3-yl]ethanol has a molecular weight of 1177.25 g/mol, XLogP of 11.50, 15 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for piperidin-4-ylmethanol;3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanal;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-[1-[3-[4-(hydroxymethyl)piperidin-1-yl]propyl]indol-3-yl]ethanol is sourced from PubChem (CID 159320342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).