2-[4-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]ethanol

C15H23NO4S — CID 107709460

IUPAC2-[4-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]ethanol
SMILESCS(=O)(=O)N1CCCC(COc2ccc(CCO)cc2)C1
InChIInChI=1S/C15H23NO4S/c1-21(18,19)16-9-2-3-14(11-16)12-20-15-6-4-13(5-7-15)8-10-17/h4-7,14,17H,2-3,8-12H2,1H3
InChIKeyWYTOZVPILRQVOB-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.27
Rot. Bonds6

About 2-[4-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]ethanol

2-[4-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]ethanol (PubChem CID 107709460) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[4-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]ethanol
PubChem CID107709460
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name2-[4-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]ethanol
SMILESCS(=O)(=O)N1CCCC(COc2ccc(CCO)cc2)C1
InChIInChI=1S/C15H23NO4S/c1-21(18,19)16-9-2-3-14(11-16)12-20-15-6-4-13(5-7-15)8-10-17/h4-7,14,17H,2-3,8-12H2,1H3
InChIKeyWYTOZVPILRQVOB-UHFFFAOYSA-N
XLogP1.27
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]ethanol?
The IUPAC name of 2-[4-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]ethanol (CID 107709460) is 2-[4-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for 2-[4-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]ethanol?
The canonical SMILES for 2-[4-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]ethanol is CS(=O)(=O)N1CCCC(COc2ccc(CCO)cc2)C1.
What is the InChIKey of 2-[4-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]ethanol?
The InChIKey is WYTOZVPILRQVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-21(18,19)16-9-2-3-14(11-16)12-20-15-6-4-13(5-7-15)8-10-17/h4-7,14,17H,2-3,8-12H2,1H3.
What are the key properties of 2-[4-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]ethanol?
2-[4-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]ethanol has a molecular weight of 313.42 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 107709460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).