1-[1-(2,2-dimethylpropylsulfonyl)piperidin-4-yl]ethanol

C12H25NO3S — CID 106837151

IUPAC1-[1-(2,2-dimethylpropylsulfonyl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)CC(C)(C)C)CC1
InChIInChI=1S/C12H25NO3S/c1-10(14)11-5-7-13(8-6-11)17(15,16)9-12(2,3)4/h10-11,14H,5-9H2,1-4H3
InChIKeyXAQHHFYNZAEEHB-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.46
Rot. Bonds3

About 1-[1-(2,2-dimethylpropylsulfonyl)piperidin-4-yl]ethanol

1-[1-(2,2-dimethylpropylsulfonyl)piperidin-4-yl]ethanol (PubChem CID 106837151) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 1-[1-(2,2-dimethylpropylsulfonyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2,2-dimethylpropylsulfonyl)piperidin-4-yl]ethanol
PubChem CID106837151
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name1-[1-(2,2-dimethylpropylsulfonyl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)CC(C)(C)C)CC1
InChIInChI=1S/C12H25NO3S/c1-10(14)11-5-7-13(8-6-11)17(15,16)9-12(2,3)4/h10-11,14H,5-9H2,1-4H3
InChIKeyXAQHHFYNZAEEHB-UHFFFAOYSA-N
XLogP1.46
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-(2,2-dimethylpropylsulfonyl)piperidine
CID 80672434
2-[1-(2,2-dimethylpropylsulfonyl)piperidin-4-yl]acetic acid
CID 79608808
1-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]ethanol
CID 103834616
1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627601
1-(2,2-dimethylpropylsulfonyl)-4-ethylpiperazine
CID 126759837
1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanol
CID 103834665
3-bromo-1-(2,2-dimethylpropylsulfonyl)pyrrolidine
CID 80670009
3-(2,2-dimethylpropylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane
CID 115314221
4-bromo-1-(2,2-dimethylpropylsulfonyl)-3-methylpiperidine
CID 114683775
3-(2-chloroethyl)-1-(2,2-dimethylpropylsulfonyl)pyrrolidine
CID 114801945
1-[1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627567
1-(2,2-dimethylpropylsulfonyl)-N-ethyl-3-methylpiperidin-4-amine
CID 114498948

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-dimethylpropylsulfonyl)piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(2,2-dimethylpropylsulfonyl)piperidin-4-yl]ethanol (CID 106837151) is 1-[1-(2,2-dimethylpropylsulfonyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(2,2-dimethylpropylsulfonyl)piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(2,2-dimethylpropylsulfonyl)piperidin-4-yl]ethanol is CC(O)C1CCN(S(=O)(=O)CC(C)(C)C)CC1.
What is the InChIKey of 1-[1-(2,2-dimethylpropylsulfonyl)piperidin-4-yl]ethanol?
The InChIKey is XAQHHFYNZAEEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-10(14)11-5-7-13(8-6-11)17(15,16)9-12(2,3)4/h10-11,14H,5-9H2,1-4H3.
What are the key properties of 1-[1-(2,2-dimethylpropylsulfonyl)piperidin-4-yl]ethanol?
1-[1-(2,2-dimethylpropylsulfonyl)piperidin-4-yl]ethanol has a molecular weight of 263.40 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-dimethylpropylsulfonyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 106837151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).