3-[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]sulfonylpyridine

C20H26N2O5S — CID 71784863

IUPAC3-[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]sulfonylpyridine
SMILESCOc1cc(COCC2CCN(S(=O)(=O)c3cccnc3)CC2)cc(OC)c1
InChIInChI=1S/C20H26N2O5S/c1-25-18-10-17(11-19(12-18)26-2)15-27-14-16-5-8-22(9-6-16)28(23,24)20-4-3-7-21-13-20/h3-4,7,10-13,16H,5-6,8-9,14-15H2,1-2H3
InChIKeyFDZNHFMVKNMESN-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.72
Rot. Bonds8

About 3-[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]sulfonylpyridine

3-[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]sulfonylpyridine (PubChem CID 71784863) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 3-[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]sulfonylpyridine.

Molecular Properties

Compound Name3-[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]sulfonylpyridine
PubChem CID71784863
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name3-[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]sulfonylpyridine
SMILESCOc1cc(COCC2CCN(S(=O)(=O)c3cccnc3)CC2)cc(OC)c1
InChIInChI=1S/C20H26N2O5S/c1-25-18-10-17(11-19(12-18)26-2)15-27-14-16-5-8-22(9-6-16)28(23,24)20-4-3-7-21-13-20/h3-4,7,10-13,16H,5-6,8-9,14-15H2,1-2H3
InChIKeyFDZNHFMVKNMESN-UHFFFAOYSA-N
XLogP2.72
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]sulfonylpyridine?
The IUPAC name of 3-[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]sulfonylpyridine (CID 71784863) is 3-[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]sulfonylpyridine.
What is the SMILES notation for 3-[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]sulfonylpyridine?
The canonical SMILES for 3-[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]sulfonylpyridine is COc1cc(COCC2CCN(S(=O)(=O)c3cccnc3)CC2)cc(OC)c1.
What is the InChIKey of 3-[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]sulfonylpyridine?
The InChIKey is FDZNHFMVKNMESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-25-18-10-17(11-19(12-18)26-2)15-27-14-16-5-8-22(9-6-16)28(23,24)20-4-3-7-21-13-20/h3-4,7,10-13,16H,5-6,8-9,14-15H2,1-2H3.
What are the key properties of 3-[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]sulfonylpyridine?
3-[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]sulfonylpyridine has a molecular weight of 406.50 g/mol, XLogP of 2.72, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]sulfonylpyridine is sourced from PubChem (CID 71784863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).