[1-[2-(benzenesulfonyl)ethyl]piperidin-4-yl]methanol

C14H21NO3S — CID 51080704

IUPAC[1-[2-(benzenesulfonyl)ethyl]piperidin-4-yl]methanol
SMILESO=S(=O)(CCN1CCC(CO)CC1)c1ccccc1
InChIInChI=1S/C14H21NO3S/c16-12-13-6-8-15(9-7-13)10-11-19(17,18)14-4-2-1-3-5-14/h1-5,13,16H,6-12H2
InChIKeyYYEFMHUDRVMQAV-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.16
Rot. Bonds5

About [1-[2-(benzenesulfonyl)ethyl]piperidin-4-yl]methanol

[1-[2-(benzenesulfonyl)ethyl]piperidin-4-yl]methanol (PubChem CID 51080704) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is [1-[2-(benzenesulfonyl)ethyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-(benzenesulfonyl)ethyl]piperidin-4-yl]methanol
PubChem CID51080704
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name[1-[2-(benzenesulfonyl)ethyl]piperidin-4-yl]methanol
SMILESO=S(=O)(CCN1CCC(CO)CC1)c1ccccc1
InChIInChI=1S/C14H21NO3S/c16-12-13-6-8-15(9-7-13)10-11-19(17,18)14-4-2-1-3-5-14/h1-5,13,16H,6-12H2
InChIKeyYYEFMHUDRVMQAV-UHFFFAOYSA-N
XLogP1.16
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(benzenesulfonyl)ethyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[2-(benzenesulfonyl)ethyl]piperidin-4-yl]methanol (CID 51080704) is [1-[2-(benzenesulfonyl)ethyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-(benzenesulfonyl)ethyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[2-(benzenesulfonyl)ethyl]piperidin-4-yl]methanol is O=S(=O)(CCN1CCC(CO)CC1)c1ccccc1.
What is the InChIKey of [1-[2-(benzenesulfonyl)ethyl]piperidin-4-yl]methanol?
The InChIKey is YYEFMHUDRVMQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c16-12-13-6-8-15(9-7-13)10-11-19(17,18)14-4-2-1-3-5-14/h1-5,13,16H,6-12H2.
What are the key properties of [1-[2-(benzenesulfonyl)ethyl]piperidin-4-yl]methanol?
[1-[2-(benzenesulfonyl)ethyl]piperidin-4-yl]methanol has a molecular weight of 283.39 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(benzenesulfonyl)ethyl]piperidin-4-yl]methanol is sourced from PubChem (CID 51080704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).