4-(4-fluorophenyl)-3-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylic acid

C26H26FNO4 — CID 22126279

IUPAC4-(4-fluorophenyl)-3-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ccc(F)cc2)C(OCc2cccc(OCc3ccccc3)c2)C1
InChIInChI=1S/C26H26FNO4/c27-22-11-9-21(10-12-22)24-13-14-28(26(29)30)16-25(24)32-18-20-7-4-8-23(15-20)31-17-19-5-2-1-3-6-19/h1-12,15,24-25H,13-14,16-18H2,(H,29,30)
InChIKeyXYEJGPJYARWICG-UHFFFAOYSA-N
MW435.50 g/mol
LogP5.46
Rot. Bonds7

About 4-(4-fluorophenyl)-3-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylic acid

4-(4-fluorophenyl)-3-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylic acid (PubChem CID 22126279) has the molecular formula C26H26FNO4 and a molecular weight of 435.50 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylic acid
PubChem CID22126279
Molecular FormulaC26H26FNO4
Molecular Weight435.50 g/mol
Exact Mass435.18
IUPAC Name4-(4-fluorophenyl)-3-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ccc(F)cc2)C(OCc2cccc(OCc3ccccc3)c2)C1
InChIInChI=1S/C26H26FNO4/c27-22-11-9-21(10-12-22)24-13-14-28(26(29)30)16-25(24)32-18-20-7-4-8-23(15-20)31-17-19-5-2-1-3-6-19/h1-12,15,24-25H,13-14,16-18H2,(H,29,30)
InChIKeyXYEJGPJYARWICG-UHFFFAOYSA-N
XLogP5.46
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.50
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylic acid?
The IUPAC name of 4-(4-fluorophenyl)-3-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylic acid (CID 22126279) is 4-(4-fluorophenyl)-3-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-3-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-fluorophenyl)-3-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylic acid is O=C(O)N1CCC(c2ccc(F)cc2)C(OCc2cccc(OCc3ccccc3)c2)C1.
What is the InChIKey of 4-(4-fluorophenyl)-3-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylic acid?
The InChIKey is XYEJGPJYARWICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FNO4/c27-22-11-9-21(10-12-22)24-13-14-28(26(29)30)16-25(24)32-18-20-7-4-8-23(15-20)31-17-19-5-2-1-3-6-19/h1-12,15,24-25H,13-14,16-18H2,(H,29,30).
What are the key properties of 4-(4-fluorophenyl)-3-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylic acid?
4-(4-fluorophenyl)-3-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylic acid has a molecular weight of 435.50 g/mol, XLogP of 5.46, 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-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 22126279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).