(1S)-2,2,2-trifluoro-1-[1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]ethanol

C13H23F3N2O3S — CID 97239663

IUPAC(1S)-2,2,2-trifluoro-1-[1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]ethanol
SMILESC[C@H]1CCCN(S(=O)(=O)N2CCC([C@H](O)C(F)(F)F)CC2)C1
InChIInChI=1S/C13H23F3N2O3S/c1-10-3-2-6-18(9-10)22(20,21)17-7-4-11(5-8-17)12(19)13(14,15)16/h10-12,19H,2-9H2,1H3/t10-,12-/m0/s1
InChIKeyWNPCPPDFZSMIIJ-JQWIXIFHSA-N
MW344.40 g/mol
LogP1.60
Rot. Bonds3

About (1S)-2,2,2-trifluoro-1-[1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]ethanol

(1S)-2,2,2-trifluoro-1-[1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]ethanol (PubChem CID 97239663) has the molecular formula C13H23F3N2O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is (1S)-2,2,2-trifluoro-1-[1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]ethanol.

Molecular Properties

Compound Name(1S)-2,2,2-trifluoro-1-[1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]ethanol
PubChem CID97239663
Molecular FormulaC13H23F3N2O3S
Molecular Weight344.40 g/mol
Exact Mass344.14
IUPAC Name(1S)-2,2,2-trifluoro-1-[1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]ethanol
SMILESC[C@H]1CCCN(S(=O)(=O)N2CCC([C@H](O)C(F)(F)F)CC2)C1
InChIInChI=1S/C13H23F3N2O3S/c1-10-3-2-6-18(9-10)22(20,21)17-7-4-11(5-8-17)12(19)13(14,15)16/h10-12,19H,2-9H2,1H3/t10-,12-/m0/s1
InChIKeyWNPCPPDFZSMIIJ-JQWIXIFHSA-N
XLogP1.60
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,2-trifluoro-1-[1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]ethanol?
The IUPAC name of (1S)-2,2,2-trifluoro-1-[1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]ethanol (CID 97239663) is (1S)-2,2,2-trifluoro-1-[1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]ethanol.
What is the SMILES notation for (1S)-2,2,2-trifluoro-1-[1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]ethanol?
The canonical SMILES for (1S)-2,2,2-trifluoro-1-[1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]ethanol is C[C@H]1CCCN(S(=O)(=O)N2CCC([C@H](O)C(F)(F)F)CC2)C1.
What is the InChIKey of (1S)-2,2,2-trifluoro-1-[1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]ethanol?
The InChIKey is WNPCPPDFZSMIIJ-JQWIXIFHSA-N. The full InChI is InChI=1S/C13H23F3N2O3S/c1-10-3-2-6-18(9-10)22(20,21)17-7-4-11(5-8-17)12(19)13(14,15)16/h10-12,19H,2-9H2,1H3/t10-,12-/m0/s1.
What are the key properties of (1S)-2,2,2-trifluoro-1-[1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]ethanol?
(1S)-2,2,2-trifluoro-1-[1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]ethanol has a molecular weight of 344.40 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,2-trifluoro-1-[1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]ethanol is sourced from PubChem (CID 97239663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).