4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidine

C25H33FN2O4S — CID 90617030

IUPAC4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidine
SMILESCOc1ccc(CCS(=O)(=O)N2CCC(N3CCC(Oc4ccccc4F)CC3)CC2)cc1
InChIInChI=1S/C25H33FN2O4S/c1-31-22-8-6-20(7-9-22)14-19-33(29,30)28-17-10-21(11-18-28)27-15-12-23(13-16-27)32-25-5-3-2-4-24(25)26/h2-9,21,23H,10-19H2,1H3
InChIKeyMAGKQZDLMLPCLD-UHFFFAOYSA-N
MW476.61 g/mol
LogP3.71
Rot. Bonds8

About 4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidine

4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidine (PubChem CID 90617030) has the molecular formula C25H33FN2O4S and a molecular weight of 476.61 g/mol. Its IUPAC name is 4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidine.

Molecular Properties

Compound Name4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidine
PubChem CID90617030
Molecular FormulaC25H33FN2O4S
Molecular Weight476.61 g/mol
Exact Mass476.21
IUPAC Name4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidine
SMILESCOc1ccc(CCS(=O)(=O)N2CCC(N3CCC(Oc4ccccc4F)CC3)CC2)cc1
InChIInChI=1S/C25H33FN2O4S/c1-31-22-8-6-20(7-9-22)14-19-33(29,30)28-17-10-21(11-18-28)27-15-12-23(13-16-27)32-25-5-3-2-4-24(25)26/h2-9,21,23H,10-19H2,1H3
InChIKeyMAGKQZDLMLPCLD-UHFFFAOYSA-N
XLogP3.71
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.61
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidine?
The IUPAC name of 4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidine (CID 90617030) is 4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidine.
What is the SMILES notation for 4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidine?
The canonical SMILES for 4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidine is COc1ccc(CCS(=O)(=O)N2CCC(N3CCC(Oc4ccccc4F)CC3)CC2)cc1.
What is the InChIKey of 4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidine?
The InChIKey is MAGKQZDLMLPCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN2O4S/c1-31-22-8-6-20(7-9-22)14-19-33(29,30)28-17-10-21(11-18-28)27-15-12-23(13-16-27)32-25-5-3-2-4-24(25)26/h2-9,21,23H,10-19H2,1H3.
What are the key properties of 4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidine?
4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidine has a molecular weight of 476.61 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidine is sourced from PubChem (CID 90617030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).