1-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine

C19H30N2O4S — CID 118308412

IUPAC1-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)c1
InChIInChI=1S/C19H30N2O4S/c1-15-6-10-20(11-7-15)16-8-12-21(13-9-16)26(22,23)19-14-17(24-2)4-5-18(19)25-3/h4-5,14-16H,6-13H2,1-3H3
InChIKeyGSIJXUXLBIMFDI-UHFFFAOYSA-N
MW382.53 g/mol
LogP2.59
Rot. Bonds5

About 1-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine

1-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine (PubChem CID 118308412) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is 1-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
PubChem CID118308412
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC Name1-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)c1
InChIInChI=1S/C19H30N2O4S/c1-15-6-10-20(11-7-15)16-8-12-21(13-9-16)26(22,23)19-14-17(24-2)4-5-18(19)25-3/h4-5,14-16H,6-13H2,1-3H3
InChIKeyGSIJXUXLBIMFDI-UHFFFAOYSA-N
XLogP2.59
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
The IUPAC name of 1-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine (CID 118308412) is 1-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine.
What is the SMILES notation for 1-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
The canonical SMILES for 1-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine is COc1ccc(OC)c(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)c1.
What is the InChIKey of 1-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
The InChIKey is GSIJXUXLBIMFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-15-6-10-20(11-7-15)16-8-12-21(13-9-16)26(22,23)19-14-17(24-2)4-5-18(19)25-3/h4-5,14-16H,6-13H2,1-3H3.
What are the key properties of 1-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
1-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine has a molecular weight of 382.53 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine is sourced from PubChem (CID 118308412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).