1-(4-fluorophenoxy)-3-[7-(naphthalen-2-ylmethoxy)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl]propan-2-ol

C34H36FNO3 — CID 23361193

About 1-(4-fluorophenoxy)-3-[7-(naphthalen-2-ylmethoxy)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl]propan-2-ol

1-(4-fluorophenoxy)-3-[7-(naphthalen-2-ylmethoxy)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl]propan-2-ol (PubChem CID 23361193) has the molecular formula C34H36FNO3 and a molecular weight of 525.66 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-3-[7-(naphthalen-2-ylmethoxy)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl]propan-2-ol.

Molecular Properties

• Compound Name: 1-(4-fluorophenoxy)-3-[7-(naphthalen-2-ylmethoxy)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl]propan-2-ol
• PubChem CID: 23361193
• Molecular Formula: C34H36FNO3
• Molecular Weight: 525.66 g/mol
• Exact Mass: 525.27
• IUPAC Name: 1-(4-fluorophenoxy)-3-[7-(naphthalen-2-ylmethoxy)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl]propan-2-ol
• SMILES: OC(COc1ccc(F)cc1)CN1CCCCC12CCc1cc(OCc3ccc4ccccc4c3)ccc1C2
• InChI: InChI=1S/C34H36FNO3/c35-30-10-13-32(14-11-30)39-24-31(37)22-36-18-4-3-16-34(36)17-15-28-20-33(12-9-29(28)21-34)38-23-25-7-8-26-5-1-2-6-27(26)19-25/h1-2,5-14,19-20,31,37H,3-4,15-18,21-24H2
• InChIKey: XXTWVOLHLVMNGW-UHFFFAOYSA-N
• XLogP: 6.71
• TPSA: 41.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.66
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)-3-[7-(naphthalen-2-ylmethoxy)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl]propan-2-ol?

The IUPAC name of 1-(4-fluorophenoxy)-3-[7-(naphthalen-2-ylmethoxy)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl]propan-2-ol (CID 23361193) is 1-(4-fluorophenoxy)-3-[7-(naphthalen-2-ylmethoxy)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl]propan-2-ol.

What is the SMILES notation for 1-(4-fluorophenoxy)-3-[7-(naphthalen-2-ylmethoxy)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl]propan-2-ol?

The canonical SMILES for 1-(4-fluorophenoxy)-3-[7-(naphthalen-2-ylmethoxy)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl]propan-2-ol is OC(COc1ccc(F)cc1)CN1CCCCC12CCc1cc(OCc3ccc4ccccc4c3)ccc1C2.

What is the InChIKey of 1-(4-fluorophenoxy)-3-[7-(naphthalen-2-ylmethoxy)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl]propan-2-ol?

The InChIKey is XXTWVOLHLVMNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36FNO3/c35-30-10-13-32(14-11-30)39-24-31(37)22-36-18-4-3-16-34(36)17-15-28-20-33(12-9-29(28)21-34)38-23-25-7-8-26-5-1-2-6-27(26)19-25/h1-2,5-14,19-20,31,37H,3-4,15-18,21-24H2.

What are the key properties of 1-(4-fluorophenoxy)-3-[7-(naphthalen-2-ylmethoxy)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl]propan-2-ol?

1-(4-fluorophenoxy)-3-[7-(naphthalen-2-ylmethoxy)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl]propan-2-ol has a molecular weight of 525.66 g/mol, XLogP of 6.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenoxy)-3-[7-(naphthalen-2-ylmethoxy)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl]propan-2-ol is sourced from PubChem (CID 23361193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).