(1R)-2,2,2-trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol

C10H18F3NO3S — CID 97098893

IUPAC(1R)-2,2,2-trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol
SMILESCCCS(=O)(=O)N1CCC([C@@H](O)C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO3S/c1-2-7-18(16,17)14-5-3-8(4-6-14)9(15)10(11,12)13/h8-9,15H,2-7H2,1H3/t9-/m1/s1
InChIKeyPZQVHEFSNYCRAK-SECBINFHSA-N
MW289.32 g/mol
LogP1.36
Rot. Bonds4

About (1R)-2,2,2-trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol

(1R)-2,2,2-trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol (PubChem CID 97098893) has the molecular formula C10H18F3NO3S and a molecular weight of 289.32 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol
PubChem CID97098893
Molecular FormulaC10H18F3NO3S
Molecular Weight289.32 g/mol
Exact Mass289.10
IUPAC Name(1R)-2,2,2-trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol
SMILESCCCS(=O)(=O)N1CCC([C@@H](O)C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO3S/c1-2-7-18(16,17)14-5-3-8(4-6-14)9(15)10(11,12)13/h8-9,15H,2-7H2,1H3/t9-/m1/s1
InChIKeyPZQVHEFSNYCRAK-SECBINFHSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-Trifluoro-1-[1-(oxolan-3-ylmethylsulfonyl)piperidin-4-yl]ethanol
CID 75427686
(1S)-1-[1-(2-cyclopropylethylsulfonyl)piperidin-4-yl]ethanol
CID 164639391
1-Methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine
CID 58450253
1-Methanesulfonyl-4-(2,2,2-trifluoro-1-hydroxyethyl)-piperidine
CID 67402269
4-Fluoro-1-methanesulfonyl-4-(2,2,2-trifluoro-1-hydroxy-ethyl)piperidine
CID 67402461
2,2,2-Trifluoro-1-(4-methyl-1-methylsulfonylpiperidin-4-yl)ethanol
CID 70886776
[2,2,2-Trifluoro-1-(1-methylsulfonylpiperidin-4-yl)ethyl] hypoiodite
CID 90048100
(3S,5R)-5-(difluoromethyl)-1-methylsulfonylpiperidin-3-ol
CID 126716174
5-(Difluoromethyl)-1-methylsulfonylpiperidin-3-ol
CID 126716175
(3S,4R)-1-(difluoromethylsulfonyl)-4-methylpiperidin-3-ol
CID 167090116
(3S,4S)-4-tert-butyl-1-(difluoromethylsulfonyl)piperidin-3-ol
CID 171582012
(3S,4S)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-ol
CID 176688190

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol?
The IUPAC name of (1R)-2,2,2-trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol (CID 97098893) is (1R)-2,2,2-trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol is CCCS(=O)(=O)N1CCC([C@@H](O)C(F)(F)F)CC1.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol?
The InChIKey is PZQVHEFSNYCRAK-SECBINFHSA-N. The full InChI is InChI=1S/C10H18F3NO3S/c1-2-7-18(16,17)14-5-3-8(4-6-14)9(15)10(11,12)13/h8-9,15H,2-7H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol?
(1R)-2,2,2-trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol has a molecular weight of 289.32 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol is sourced from PubChem (CID 97098893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).