4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid

C26H26FNO4 — CID 22126951

About 4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid

4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid (PubChem CID 22126951) has the molecular formula C26H26FNO4 and a molecular weight of 435.50 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid.

Molecular Properties

• Compound Name: 4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid
• PubChem CID: 22126951
• Molecular Formula: C26H26FNO4
• Molecular Weight: 435.50 g/mol
• Exact Mass: 435.18
• IUPAC Name: 4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid
• SMILES: C=CCOc1cc(COC2CN(C(=O)O)CCC2c2ccc(F)cc2)cc2ccccc12
• InChI: InChI=1S/C26H26FNO4/c1-2-13-31-24-15-18(14-20-5-3-4-6-22(20)24)17-32-25-16-28(26(29)30)12-11-23(25)19-7-9-21(27)10-8-19/h2-10,14-15,23,25H,1,11-13,16-17H2,(H,29,30)
• InChIKey: ZJHPBDRGKNVOJA-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 59.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.50
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid?

The IUPAC name of 4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid (CID 22126951) is 4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid.

What is the SMILES notation for 4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid?

The canonical SMILES for 4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid is C=CCOc1cc(COC2CN(C(=O)O)CCC2c2ccc(F)cc2)cc2ccccc12.

What is the InChIKey of 4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid?

The InChIKey is ZJHPBDRGKNVOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FNO4/c1-2-13-31-24-15-18(14-20-5-3-4-6-22(20)24)17-32-25-16-28(26(29)30)12-11-23(25)19-7-9-21(27)10-8-19/h2-10,14-15,23,25H,1,11-13,16-17H2,(H,29,30).

What are the key properties of 4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid?

4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid has a molecular weight of 435.50 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 22126951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).