1-(difluoromethylsulfonyl)-6-methylpiperidin-3-ol

C7H13F2NO3S — CID 131062420

IUPAC1-(difluoromethylsulfonyl)-6-methylpiperidin-3-ol
SMILESCC1CCC(O)CN1S(=O)(=O)C(F)F
InChIInChI=1S/C7H13F2NO3S/c1-5-2-3-6(11)4-10(5)14(12,13)7(8)9/h5-7,11H,2-4H2,1H3
InChIKeyYVVKVVNZVUEXQK-UHFFFAOYSA-N
MW229.25 g/mol
LogP0.38
Rot. Bonds2

About 1-(difluoromethylsulfonyl)-6-methylpiperidin-3-ol

1-(difluoromethylsulfonyl)-6-methylpiperidin-3-ol (PubChem CID 131062420) has the molecular formula C7H13F2NO3S and a molecular weight of 229.25 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-6-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-6-methylpiperidin-3-ol
PubChem CID131062420
Molecular FormulaC7H13F2NO3S
Molecular Weight229.25 g/mol
Exact Mass229.06
IUPAC Name1-(difluoromethylsulfonyl)-6-methylpiperidin-3-ol
SMILESCC1CCC(O)CN1S(=O)(=O)C(F)F
InChIInChI=1S/C7H13F2NO3S/c1-5-2-3-6(11)4-10(5)14(12,13)7(8)9/h5-7,11H,2-4H2,1H3
InChIKeyYVVKVVNZVUEXQK-UHFFFAOYSA-N
XLogP0.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)-6-methylpiperidin-3-ol?
The IUPAC name of 1-(difluoromethylsulfonyl)-6-methylpiperidin-3-ol (CID 131062420) is 1-(difluoromethylsulfonyl)-6-methylpiperidin-3-ol.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-6-methylpiperidin-3-ol?
The canonical SMILES for 1-(difluoromethylsulfonyl)-6-methylpiperidin-3-ol is CC1CCC(O)CN1S(=O)(=O)C(F)F.
What is the InChIKey of 1-(difluoromethylsulfonyl)-6-methylpiperidin-3-ol?
The InChIKey is YVVKVVNZVUEXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO3S/c1-5-2-3-6(11)4-10(5)14(12,13)7(8)9/h5-7,11H,2-4H2,1H3.
What are the key properties of 1-(difluoromethylsulfonyl)-6-methylpiperidin-3-ol?
1-(difluoromethylsulfonyl)-6-methylpiperidin-3-ol has a molecular weight of 229.25 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)-6-methylpiperidin-3-ol is sourced from PubChem (CID 131062420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).