1-[2-(4-fluorophenyl)ethyl]-4-[2-(2-methoxyphenyl)ethyl]piperidine

C22H28FNO — CID 86274720

IUPAC1-[2-(4-fluorophenyl)ethyl]-4-[2-(2-methoxyphenyl)ethyl]piperidine
SMILESCOc1ccccc1CCC1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C22H28FNO/c1-25-22-5-3-2-4-20(22)9-6-19-13-16-24(17-14-19)15-12-18-7-10-21(23)11-8-18/h2-5,7-8,10-11,19H,6,9,12-17H2,1H3
InChIKeyODSVRPCSYOYGLX-UHFFFAOYSA-N
MW341.47 g/mol
LogP4.72
Rot. Bonds7

About 1-[2-(4-fluorophenyl)ethyl]-4-[2-(2-methoxyphenyl)ethyl]piperidine

1-[2-(4-fluorophenyl)ethyl]-4-[2-(2-methoxyphenyl)ethyl]piperidine (PubChem CID 86274720) has the molecular formula C22H28FNO and a molecular weight of 341.47 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-4-[2-(2-methoxyphenyl)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-4-[2-(2-methoxyphenyl)ethyl]piperidine
PubChem CID86274720
Molecular FormulaC22H28FNO
Molecular Weight341.47 g/mol
Exact Mass341.22
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-4-[2-(2-methoxyphenyl)ethyl]piperidine
SMILESCOc1ccccc1CCC1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C22H28FNO/c1-25-22-5-3-2-4-20(22)9-6-19-13-16-24(17-14-19)15-12-18-7-10-21(23)11-8-18/h2-5,7-8,10-11,19H,6,9,12-17H2,1H3
InChIKeyODSVRPCSYOYGLX-UHFFFAOYSA-N
XLogP4.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.47
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-4-[2-(2-methoxyphenyl)ethyl]piperidine?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-4-[2-(2-methoxyphenyl)ethyl]piperidine (CID 86274720) is 1-[2-(4-fluorophenyl)ethyl]-4-[2-(2-methoxyphenyl)ethyl]piperidine.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-4-[2-(2-methoxyphenyl)ethyl]piperidine?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-4-[2-(2-methoxyphenyl)ethyl]piperidine is COc1ccccc1CCC1CCN(CCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-4-[2-(2-methoxyphenyl)ethyl]piperidine?
The InChIKey is ODSVRPCSYOYGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FNO/c1-25-22-5-3-2-4-20(22)9-6-19-13-16-24(17-14-19)15-12-18-7-10-21(23)11-8-18/h2-5,7-8,10-11,19H,6,9,12-17H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-4-[2-(2-methoxyphenyl)ethyl]piperidine?
1-[2-(4-fluorophenyl)ethyl]-4-[2-(2-methoxyphenyl)ethyl]piperidine has a molecular weight of 341.47 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-4-[2-(2-methoxyphenyl)ethyl]piperidine is sourced from PubChem (CID 86274720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).