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

C25H34N2O3S — CID 91916447

IUPAC1-benzyl-4-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]oxypiperidine
SMILESCCc1ccc(S(=O)(=O)N2CCC(OC3CCN(Cc4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C25H34N2O3S/c1-2-21-8-10-25(11-9-21)31(28,29)27-18-14-24(15-19-27)30-23-12-16-26(17-13-23)20-22-6-4-3-5-7-22/h3-11,23-24H,2,12-20H2,1H3
InChIKeyVUAPQFJINUWSJQ-UHFFFAOYSA-N
MW442.63 g/mol
LogP4.08
Rot. Bonds7

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

1-benzyl-4-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]oxypiperidine (PubChem CID 91916447) has the molecular formula C25H34N2O3S and a molecular weight of 442.63 g/mol. Its IUPAC name is 1-benzyl-4-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]oxypiperidine.

Molecular Properties

Compound Name1-benzyl-4-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]oxypiperidine
PubChem CID91916447
Molecular FormulaC25H34N2O3S
Molecular Weight442.63 g/mol
Exact Mass442.23
IUPAC Name1-benzyl-4-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]oxypiperidine
SMILESCCc1ccc(S(=O)(=O)N2CCC(OC3CCN(Cc4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C25H34N2O3S/c1-2-21-8-10-25(11-9-21)31(28,29)27-18-14-24(15-19-27)30-23-12-16-26(17-13-23)20-22-6-4-3-5-7-22/h3-11,23-24H,2,12-20H2,1H3
InChIKeyVUAPQFJINUWSJQ-UHFFFAOYSA-N
XLogP4.08
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.63
LogP ≤ 54.08
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-ethylphenyl)sulfonylpiperidin-4-yl]oxypiperidine?
The IUPAC name of 1-benzyl-4-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]oxypiperidine (CID 91916447) is 1-benzyl-4-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]oxypiperidine.
What is the SMILES notation for 1-benzyl-4-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]oxypiperidine?
The canonical SMILES for 1-benzyl-4-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]oxypiperidine is CCc1ccc(S(=O)(=O)N2CCC(OC3CCN(Cc4ccccc4)CC3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]oxypiperidine?
The InChIKey is VUAPQFJINUWSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3S/c1-2-21-8-10-25(11-9-21)31(28,29)27-18-14-24(15-19-27)30-23-12-16-26(17-13-23)20-22-6-4-3-5-7-22/h3-11,23-24H,2,12-20H2,1H3.
What are the key properties of 1-benzyl-4-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]oxypiperidine?
1-benzyl-4-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]oxypiperidine has a molecular weight of 442.63 g/mol, XLogP of 4.08, 7 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-ethylphenyl)sulfonylpiperidin-4-yl]oxypiperidine is sourced from PubChem (CID 91916447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).