2-[1-(2-ethylsulfonylethyl)piperidin-4-yl]propan-2-ol

C12H25NO3S — CID 59216610

IUPAC2-[1-(2-ethylsulfonylethyl)piperidin-4-yl]propan-2-ol
SMILESCCS(=O)(=O)CCN1CCC(C(C)(C)O)CC1
InChIInChI=1S/C12H25NO3S/c1-4-17(15,16)10-9-13-7-5-11(6-8-13)12(2,3)14/h11,14H,4-10H2,1-3H3
InChIKeyADDOFWDWOVDSCV-UHFFFAOYSA-N
MW263.40 g/mol
LogP0.90
Rot. Bonds5

About 2-[1-(2-ethylsulfonylethyl)piperidin-4-yl]propan-2-ol

2-[1-(2-ethylsulfonylethyl)piperidin-4-yl]propan-2-ol (PubChem CID 59216610) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 2-[1-(2-ethylsulfonylethyl)piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(2-ethylsulfonylethyl)piperidin-4-yl]propan-2-ol
PubChem CID59216610
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name2-[1-(2-ethylsulfonylethyl)piperidin-4-yl]propan-2-ol
SMILESCCS(=O)(=O)CCN1CCC(C(C)(C)O)CC1
InChIInChI=1S/C12H25NO3S/c1-4-17(15,16)10-9-13-7-5-11(6-8-13)12(2,3)14/h11,14H,4-10H2,1-3H3
InChIKeyADDOFWDWOVDSCV-UHFFFAOYSA-N
XLogP0.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylsulfonylethyl)piperidine-4-carboxylic acid
CID 43808024
1-(2-ethylsulfonylethyl)pyrrolidin-3-ol
CID 62916486
1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanamine
CID 63597306
N-ethyl-1-(2-ethylsulfonylethyl)piperidin-4-amine
CID 60820479
ethane;2-[1-(3-ethoxypropyl)piperidin-4-yl]propan-2-ol
CID 154661407
N-(cyclopropylmethyl)-1-(2-ethylsulfonylethyl)piperidin-4-amine;hydrochloride
CID 119926349
1-(2-ethylsulfonylethyl)azocane
CID 167779827
ethane;2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-2-ol
CID 156869049
N'-hydroxy-1-(2-propylsulfonylethyl)piperidine-4-carboximidamide
CID 106725369
4-(1-chloroethyl)-1-(2-propylsulfonylethyl)piperidine
CID 106838183
2-methyl-2-[1-(2-propylsulfonylethyl)piperidin-3-yl]propanoic acid
CID 106727680
1-(2-ethylsulfonylethyl)piperidine-3-carboxylic acid
CID 43808023

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethylsulfonylethyl)piperidin-4-yl]propan-2-ol?
The IUPAC name of 2-[1-(2-ethylsulfonylethyl)piperidin-4-yl]propan-2-ol (CID 59216610) is 2-[1-(2-ethylsulfonylethyl)piperidin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(2-ethylsulfonylethyl)piperidin-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-(2-ethylsulfonylethyl)piperidin-4-yl]propan-2-ol is CCS(=O)(=O)CCN1CCC(C(C)(C)O)CC1.
What is the InChIKey of 2-[1-(2-ethylsulfonylethyl)piperidin-4-yl]propan-2-ol?
The InChIKey is ADDOFWDWOVDSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-4-17(15,16)10-9-13-7-5-11(6-8-13)12(2,3)14/h11,14H,4-10H2,1-3H3.
What are the key properties of 2-[1-(2-ethylsulfonylethyl)piperidin-4-yl]propan-2-ol?
2-[1-(2-ethylsulfonylethyl)piperidin-4-yl]propan-2-ol has a molecular weight of 263.40 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylsulfonylethyl)piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 59216610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).