[2-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone

C26H26FNO2 — CID 10201185

IUPAC[2-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone
SMILESO=C(c1ccccc1-c1ccccc1)N1CCCCC1CCOc1ccc(F)cc1
InChIInChI=1S/C26H26FNO2/c27-21-13-15-23(16-14-21)30-19-17-22-10-6-7-18-28(22)26(29)25-12-5-4-11-24(25)20-8-2-1-3-9-20/h1-5,8-9,11-16,22H,6-7,10,17-19H2
InChIKeyPZTKKGBQVCJMCG-UHFFFAOYSA-N
MW403.50 g/mol
LogP5.96
Rot. Bonds6

About [2-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone

[2-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone (PubChem CID 10201185) has the molecular formula C26H26FNO2 and a molecular weight of 403.50 g/mol. Its IUPAC name is [2-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone.

Molecular Properties

Compound Name[2-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone
PubChem CID10201185
Molecular FormulaC26H26FNO2
Molecular Weight403.50 g/mol
Exact Mass403.19
IUPAC Name[2-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone
SMILESO=C(c1ccccc1-c1ccccc1)N1CCCCC1CCOc1ccc(F)cc1
InChIInChI=1S/C26H26FNO2/c27-21-13-15-23(16-14-21)30-19-17-22-10-6-7-18-28(22)26(29)25-12-5-4-11-24(25)20-8-2-1-3-9-20/h1-5,8-9,11-16,22H,6-7,10,17-19H2
InChIKeyPZTKKGBQVCJMCG-UHFFFAOYSA-N
XLogP5.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.50
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone?
The IUPAC name of [2-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone (CID 10201185) is [2-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone.
What is the SMILES notation for [2-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone?
The canonical SMILES for [2-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone is O=C(c1ccccc1-c1ccccc1)N1CCCCC1CCOc1ccc(F)cc1.
What is the InChIKey of [2-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone?
The InChIKey is PZTKKGBQVCJMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FNO2/c27-21-13-15-23(16-14-21)30-19-17-22-10-6-7-18-28(22)26(29)25-12-5-4-11-24(25)20-8-2-1-3-9-20/h1-5,8-9,11-16,22H,6-7,10,17-19H2.
What are the key properties of [2-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone?
[2-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone has a molecular weight of 403.50 g/mol, XLogP of 5.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone is sourced from PubChem (CID 10201185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).