1-benzyl-4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]oxypiperidine

C23H29FN2O3S — CID 91916441

IUPAC1-benzyl-4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]oxypiperidine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC(OC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C23H29FN2O3S/c24-20-6-8-23(9-7-20)30(27,28)26-16-12-22(13-17-26)29-21-10-14-25(15-11-21)18-19-4-2-1-3-5-19/h1-9,21-22H,10-18H2
InChIKeyKVKCXLIKYJEFRM-UHFFFAOYSA-N
MW432.56 g/mol
LogP3.66
Rot. Bonds6

About 1-benzyl-4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]oxypiperidine

1-benzyl-4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]oxypiperidine (PubChem CID 91916441) has the molecular formula C23H29FN2O3S and a molecular weight of 432.56 g/mol. Its IUPAC name is 1-benzyl-4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]oxypiperidine.

Molecular Properties

Compound Name1-benzyl-4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]oxypiperidine
PubChem CID91916441
Molecular FormulaC23H29FN2O3S
Molecular Weight432.56 g/mol
Exact Mass432.19
IUPAC Name1-benzyl-4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]oxypiperidine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC(OC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C23H29FN2O3S/c24-20-6-8-23(9-7-20)30(27,28)26-16-12-22(13-17-26)29-21-10-14-25(15-11-21)18-19-4-2-1-3-5-19/h1-9,21-22H,10-18H2
InChIKeyKVKCXLIKYJEFRM-UHFFFAOYSA-N
XLogP3.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]oxypiperidine?
The IUPAC name of 1-benzyl-4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]oxypiperidine (CID 91916441) is 1-benzyl-4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]oxypiperidine.
What is the SMILES notation for 1-benzyl-4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]oxypiperidine?
The canonical SMILES for 1-benzyl-4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]oxypiperidine is O=S(=O)(c1ccc(F)cc1)N1CCC(OC2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-benzyl-4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]oxypiperidine?
The InChIKey is KVKCXLIKYJEFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O3S/c24-20-6-8-23(9-7-20)30(27,28)26-16-12-22(13-17-26)29-21-10-14-25(15-11-21)18-19-4-2-1-3-5-19/h1-9,21-22H,10-18H2.
What are the key properties of 1-benzyl-4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]oxypiperidine?
1-benzyl-4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]oxypiperidine has a molecular weight of 432.56 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]oxypiperidine is sourced from PubChem (CID 91916441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).