2-methyl-3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]oxolan-3-ol

C13H23F3N2O2 — CID 107270761

IUPAC2-methyl-3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]oxolan-3-ol
SMILESCC1OCCC1(O)CNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O2/c1-10-12(19,4-7-20-10)8-17-11-2-5-18(6-3-11)9-13(14,15)16/h10-11,17,19H,2-9H2,1H3
InChIKeyJWCUTCLNWPFOSY-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.14
Rot. Bonds4

About 2-methyl-3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]oxolan-3-ol

2-methyl-3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]oxolan-3-ol (PubChem CID 107270761) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-methyl-3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]oxolan-3-ol
PubChem CID107270761
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name2-methyl-3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]oxolan-3-ol
SMILESCC1OCCC1(O)CNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O2/c1-10-12(19,4-7-20-10)8-17-11-2-5-18(6-3-11)9-13(14,15)16/h10-11,17,19H,2-9H2,1H3
InChIKeyJWCUTCLNWPFOSY-UHFFFAOYSA-N
XLogP1.14
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]oxolan-3-ol (CID 107270761) is 2-methyl-3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]oxolan-3-ol is CC1OCCC1(O)CNC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-methyl-3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]oxolan-3-ol?
The InChIKey is JWCUTCLNWPFOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-10-12(19,4-7-20-10)8-17-11-2-5-18(6-3-11)9-13(14,15)16/h10-11,17,19H,2-9H2,1H3.
What are the key properties of 2-methyl-3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]oxolan-3-ol?
2-methyl-3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]oxolan-3-ol has a molecular weight of 296.33 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]oxolan-3-ol is sourced from PubChem (CID 107270761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).