4-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]phenol

C14H21NO3S — CID 56913512

IUPAC4-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]phenol
SMILESCS(=O)(=O)N1CCCCC1CCc1ccc(O)cc1
InChIInChI=1S/C14H21NO3S/c1-19(17,18)15-11-3-2-4-13(15)8-5-12-6-9-14(16)10-7-12/h6-7,9-10,13,16H,2-5,8,11H2,1H3
InChIKeyMHAWEZQMWVRKSF-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.14
Rot. Bonds4

About 4-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]phenol

4-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]phenol (PubChem CID 56913512) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 4-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]phenol
PubChem CID56913512
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name4-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]phenol
SMILESCS(=O)(=O)N1CCCCC1CCc1ccc(O)cc1
InChIInChI=1S/C14H21NO3S/c1-19(17,18)15-11-3-2-4-13(15)8-5-12-6-9-14(16)10-7-12/h6-7,9-10,13,16H,2-5,8,11H2,1H3
InChIKeyMHAWEZQMWVRKSF-UHFFFAOYSA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]phenol?
The IUPAC name of 4-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]phenol (CID 56913512) is 4-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]phenol.
What is the SMILES notation for 4-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]phenol?
The canonical SMILES for 4-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]phenol is CS(=O)(=O)N1CCCCC1CCc1ccc(O)cc1.
What is the InChIKey of 4-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]phenol?
The InChIKey is MHAWEZQMWVRKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-19(17,18)15-11-3-2-4-13(15)8-5-12-6-9-14(16)10-7-12/h6-7,9-10,13,16H,2-5,8,11H2,1H3.
What are the key properties of 4-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]phenol?
4-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]phenol has a molecular weight of 283.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]phenol is sourced from PubChem (CID 56913512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).