2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]oxyethanamine

C11H21F3N2O3S — CID 83058119

IUPAC2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]oxyethanamine
SMILESNCCOC1CCN(S(=O)(=O)CCCC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O3S/c12-11(13,14)4-1-9-20(17,18)16-6-2-10(3-7-16)19-8-5-15/h10H,1-9,15H2
InChIKeyNFHJEPMOFPCZAF-UHFFFAOYSA-N
MW318.36 g/mol
LogP1.10
Rot. Bonds7

About 2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]oxyethanamine

2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]oxyethanamine (PubChem CID 83058119) has the molecular formula C11H21F3N2O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is 2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]oxyethanamine.

Molecular Properties

Compound Name2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]oxyethanamine
PubChem CID83058119
Molecular FormulaC11H21F3N2O3S
Molecular Weight318.36 g/mol
Exact Mass318.12
IUPAC Name2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]oxyethanamine
SMILESNCCOC1CCN(S(=O)(=O)CCCC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O3S/c12-11(13,14)4-1-9-20(17,18)16-6-2-10(3-7-16)19-8-5-15/h10H,1-9,15H2
InChIKeyNFHJEPMOFPCZAF-UHFFFAOYSA-N
XLogP1.10
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]oxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]oxyethanamine?
The IUPAC name of 2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]oxyethanamine (CID 83058119) is 2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]oxyethanamine.
What is the SMILES notation for 2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]oxyethanamine?
The canonical SMILES for 2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]oxyethanamine is NCCOC1CCN(S(=O)(=O)CCCC(F)(F)F)CC1.
What is the InChIKey of 2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]oxyethanamine?
The InChIKey is NFHJEPMOFPCZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O3S/c12-11(13,14)4-1-9-20(17,18)16-6-2-10(3-7-16)19-8-5-15/h10H,1-9,15H2.
What are the key properties of 2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]oxyethanamine?
2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]oxyethanamine has a molecular weight of 318.36 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]oxyethanamine is sourced from PubChem (CID 83058119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).