1,1,1-trifluoro-2-(4-piperidin-1-ylsulfonylphenyl)propan-2-ol

C14H18F3NO3S — CID 11681587

IUPAC1,1,1-trifluoro-2-(4-piperidin-1-ylsulfonylphenyl)propan-2-ol
SMILESCC(O)(c1ccc(S(=O)(=O)N2CCCCC2)cc1)C(F)(F)F
InChIInChI=1S/C14H18F3NO3S/c1-13(19,14(15,16)17)11-5-7-12(8-6-11)22(20,21)18-9-3-2-4-10-18/h5-8,19H,2-4,9-10H2,1H3
InChIKeyTXRPNFMCZYROLC-UHFFFAOYSA-N
MW337.36 g/mol
LogP2.63
Rot. Bonds3

About 1,1,1-trifluoro-2-(4-piperidin-1-ylsulfonylphenyl)propan-2-ol

1,1,1-trifluoro-2-(4-piperidin-1-ylsulfonylphenyl)propan-2-ol (PubChem CID 11681587) has the molecular formula C14H18F3NO3S and a molecular weight of 337.36 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(4-piperidin-1-ylsulfonylphenyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(4-piperidin-1-ylsulfonylphenyl)propan-2-ol
PubChem CID11681587
Molecular FormulaC14H18F3NO3S
Molecular Weight337.36 g/mol
Exact Mass337.10
IUPAC Name1,1,1-trifluoro-2-(4-piperidin-1-ylsulfonylphenyl)propan-2-ol
SMILESCC(O)(c1ccc(S(=O)(=O)N2CCCCC2)cc1)C(F)(F)F
InChIInChI=1S/C14H18F3NO3S/c1-13(19,14(15,16)17)11-5-7-12(8-6-11)22(20,21)18-9-3-2-4-10-18/h5-8,19H,2-4,9-10H2,1H3
InChIKeyTXRPNFMCZYROLC-UHFFFAOYSA-N
XLogP2.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(4-piperidin-1-ylsulfonylphenyl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(4-piperidin-1-ylsulfonylphenyl)propan-2-ol (CID 11681587) is 1,1,1-trifluoro-2-(4-piperidin-1-ylsulfonylphenyl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(4-piperidin-1-ylsulfonylphenyl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(4-piperidin-1-ylsulfonylphenyl)propan-2-ol is CC(O)(c1ccc(S(=O)(=O)N2CCCCC2)cc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(4-piperidin-1-ylsulfonylphenyl)propan-2-ol?
The InChIKey is TXRPNFMCZYROLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO3S/c1-13(19,14(15,16)17)11-5-7-12(8-6-11)22(20,21)18-9-3-2-4-10-18/h5-8,19H,2-4,9-10H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-(4-piperidin-1-ylsulfonylphenyl)propan-2-ol?
1,1,1-trifluoro-2-(4-piperidin-1-ylsulfonylphenyl)propan-2-ol has a molecular weight of 337.36 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(4-piperidin-1-ylsulfonylphenyl)propan-2-ol is sourced from PubChem (CID 11681587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).