1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol

C9H16F3NO3S — CID 83059562

IUPAC1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol
SMILESO=S(=O)(CCCC(F)(F)F)N1CCC(O)CC1
InChIInChI=1S/C9H16F3NO3S/c10-9(11,12)4-1-7-17(15,16)13-5-2-8(14)3-6-13/h8,14H,1-7H2
InChIKeyOODKVWFRXRIKPH-UHFFFAOYSA-N
MW275.29 g/mol
LogP1.12
Rot. Bonds4

About 1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol

1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol (PubChem CID 83059562) has the molecular formula C9H16F3NO3S and a molecular weight of 275.29 g/mol. Its IUPAC name is 1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol
PubChem CID83059562
Molecular FormulaC9H16F3NO3S
Molecular Weight275.29 g/mol
Exact Mass275.08
IUPAC Name1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol
SMILESO=S(=O)(CCCC(F)(F)F)N1CCC(O)CC1
InChIInChI=1S/C9H16F3NO3S/c10-9(11,12)4-1-7-17(15,16)13-5-2-8(14)3-6-13/h8,14H,1-7H2
InChIKeyOODKVWFRXRIKPH-UHFFFAOYSA-N
XLogP1.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Piperidinylsulfonyl)propan-2-ol
CID 119056772
1-(1-Piperidinylsulfonyl)butan-2-ol
CID 129875292
(4S)-1-cyclopropylsulfonyl-3,3-difluoropiperidin-4-ol
CID 164639839
1-Trifluoromethanesulfonylpiperidin-4-ol
CID 43502784
1-(1,1-Difluoroethylsulfonyl)-4-methoxypiperidine;ethane
CID 144561154
1-(Difluoromethylsulfonyl)piperidin-4-ol
CID 43502794
2-[3-(Trifluoromethyl)piperidin-1-yl]sulfonylpropan-1-ol
CID 65732239
4-[4-(Trifluoromethyl)piperidin-1-yl]sulfonylbutan-1-ol
CID 65732431
3-[4-(Trifluoromethyl)piperidin-1-yl]sulfonylpropan-1-ol
CID 65732813
4-[3-(Trifluoromethyl)piperidin-1-yl]sulfonylbutan-1-ol
CID 65733771
2-[4-(Trifluoromethyl)piperidin-1-yl]sulfonylpropan-1-ol
CID 65733963
3-[3-(Trifluoromethyl)piperidin-1-yl]sulfonylpropan-1-ol
CID 65734153

Frequently Asked Questions

What is the IUPAC name of 1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol?
The IUPAC name of 1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol (CID 83059562) is 1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol.
What is the SMILES notation for 1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol?
The canonical SMILES for 1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol is O=S(=O)(CCCC(F)(F)F)N1CCC(O)CC1.
What is the InChIKey of 1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol?
The InChIKey is OODKVWFRXRIKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3S/c10-9(11,12)4-1-7-17(15,16)13-5-2-8(14)3-6-13/h8,14H,1-7H2.
What are the key properties of 1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol?
1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol has a molecular weight of 275.29 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol is sourced from PubChem (CID 83059562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).