1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperidin-4-ol

C20H25NO3S — CID 605481

IUPAC1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperidin-4-ol
SMILESCc1ccc(S(=O)(=O)CCN2CCC(O)(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H25NO3S/c1-17-7-9-19(10-8-17)25(23,24)16-15-21-13-11-20(22,12-14-21)18-5-3-2-4-6-18/h2-10,22H,11-16H2,1H3
InChIKeyNQXORRYTBQAKSN-UHFFFAOYSA-N
MW359.49 g/mol
LogP2.75
Rot. Bonds5

About 1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperidin-4-ol

1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperidin-4-ol (PubChem CID 605481) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is 1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperidin-4-ol
PubChem CID605481
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperidin-4-ol
SMILESCc1ccc(S(=O)(=O)CCN2CCC(O)(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H25NO3S/c1-17-7-9-19(10-8-17)25(23,24)16-15-21-13-11-20(22,12-14-21)18-5-3-2-4-6-18/h2-10,22H,11-16H2,1H3
InChIKeyNQXORRYTBQAKSN-UHFFFAOYSA-N
XLogP2.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperidin-4-ol?
The IUPAC name of 1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperidin-4-ol (CID 605481) is 1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperidin-4-ol.
What is the SMILES notation for 1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperidin-4-ol?
The canonical SMILES for 1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperidin-4-ol is Cc1ccc(S(=O)(=O)CCN2CCC(O)(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperidin-4-ol?
The InChIKey is NQXORRYTBQAKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-17-7-9-19(10-8-17)25(23,24)16-15-21-13-11-20(22,12-14-21)18-5-3-2-4-6-18/h2-10,22H,11-16H2,1H3.
What are the key properties of 1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperidin-4-ol?
1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperidin-4-ol has a molecular weight of 359.49 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperidin-4-ol is sourced from PubChem (CID 605481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).