1-[4-[2-(2-fluorophenyl)-6,8,10-trimethoxybenzo[h]chromen-2-yl]phenyl]piperidine

C33H32FNO4 — CID 22895160

About 1-[4-[2-(2-fluorophenyl)-6,8,10-trimethoxybenzo[h]chromen-2-yl]phenyl]piperidine

1-[4-[2-(2-fluorophenyl)-6,8,10-trimethoxybenzo[h]chromen-2-yl]phenyl]piperidine (PubChem CID 22895160) has the molecular formula C33H32FNO4 and a molecular weight of 525.62 g/mol. Its IUPAC name is 1-[4-[2-(2-fluorophenyl)-6,8,10-trimethoxybenzo[h]chromen-2-yl]phenyl]piperidine.

Molecular Properties

• Compound Name: 1-[4-[2-(2-fluorophenyl)-6,8,10-trimethoxybenzo[h]chromen-2-yl]phenyl]piperidine
• PubChem CID: 22895160
• Molecular Formula: C33H32FNO4
• Molecular Weight: 525.62 g/mol
• Exact Mass: 525.23
• IUPAC Name: 1-[4-[2-(2-fluorophenyl)-6,8,10-trimethoxybenzo[h]chromen-2-yl]phenyl]piperidine
• SMILES: COc1cc(OC)c2c3c(cc(OC)c2c1)C=CC(c1ccc(N2CCCCC2)cc1)(c1ccccc1F)O3
• InChI: InChI=1S/C33H32FNO4/c1-36-25-20-26-29(37-2)19-22-15-16-33(27-9-5-6-10-28(27)34,39-32(22)31(26)30(21-25)38-3)23-11-13-24(14-12-23)35-17-7-4-8-18-35/h5-6,9-16,19-21H,4,7-8,17-18H2,1-3H3
• InChIKey: XQSQWMXZGLPFJG-UHFFFAOYSA-N
• XLogP: 7.34
• TPSA: 40.16 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.62
LogP ≤ 5	7.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-fluorophenyl)-6,8,10-trimethoxybenzo[h]chromen-2-yl]phenyl]piperidine?

The IUPAC name of 1-[4-[2-(2-fluorophenyl)-6,8,10-trimethoxybenzo[h]chromen-2-yl]phenyl]piperidine (CID 22895160) is 1-[4-[2-(2-fluorophenyl)-6,8,10-trimethoxybenzo[h]chromen-2-yl]phenyl]piperidine.

What is the SMILES notation for 1-[4-[2-(2-fluorophenyl)-6,8,10-trimethoxybenzo[h]chromen-2-yl]phenyl]piperidine?

The canonical SMILES for 1-[4-[2-(2-fluorophenyl)-6,8,10-trimethoxybenzo[h]chromen-2-yl]phenyl]piperidine is COc1cc(OC)c2c3c(cc(OC)c2c1)C=CC(c1ccc(N2CCCCC2)cc1)(c1ccccc1F)O3.

What is the InChIKey of 1-[4-[2-(2-fluorophenyl)-6,8,10-trimethoxybenzo[h]chromen-2-yl]phenyl]piperidine?

The InChIKey is XQSQWMXZGLPFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32FNO4/c1-36-25-20-26-29(37-2)19-22-15-16-33(27-9-5-6-10-28(27)34,39-32(22)31(26)30(21-25)38-3)23-11-13-24(14-12-23)35-17-7-4-8-18-35/h5-6,9-16,19-21H,4,7-8,17-18H2,1-3H3.

What are the key properties of 1-[4-[2-(2-fluorophenyl)-6,8,10-trimethoxybenzo[h]chromen-2-yl]phenyl]piperidine?

1-[4-[2-(2-fluorophenyl)-6,8,10-trimethoxybenzo[h]chromen-2-yl]phenyl]piperidine has a molecular weight of 525.62 g/mol, XLogP of 7.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-(2-fluorophenyl)-6,8,10-trimethoxybenzo[h]chromen-2-yl]phenyl]piperidine is sourced from PubChem (CID 22895160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).