1-[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]piperidin-1-yl]propan-2-ol

C13H25F3N2O2 — CID 56779871

IUPAC1-[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]piperidin-1-yl]propan-2-ol
SMILESCC(O)CN1CCC(CNCCOCC(F)(F)F)CC1
InChIInChI=1S/C13H25F3N2O2/c1-11(19)9-18-5-2-12(3-6-18)8-17-4-7-20-10-13(14,15)16/h11-12,17,19H,2-10H2,1H3
InChIKeyLHJCHOWFRXLFKQ-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.25
Rot. Bonds8

About 1-[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]piperidin-1-yl]propan-2-ol

1-[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]piperidin-1-yl]propan-2-ol (PubChem CID 56779871) has the molecular formula C13H25F3N2O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]piperidin-1-yl]propan-2-ol
PubChem CID56779871
Molecular FormulaC13H25F3N2O2
Molecular Weight298.35 g/mol
Exact Mass298.19
IUPAC Name1-[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]piperidin-1-yl]propan-2-ol
SMILESCC(O)CN1CCC(CNCCOCC(F)(F)F)CC1
InChIInChI=1S/C13H25F3N2O2/c1-11(19)9-18-5-2-12(3-6-18)8-17-4-7-20-10-13(14,15)16/h11-12,17,19H,2-10H2,1H3
InChIKeyLHJCHOWFRXLFKQ-UHFFFAOYSA-N
XLogP1.25
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]piperidin-1-yl]propan-2-ol (CID 56779871) is 1-[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]piperidin-1-yl]propan-2-ol is CC(O)CN1CCC(CNCCOCC(F)(F)F)CC1.
What is the InChIKey of 1-[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is LHJCHOWFRXLFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O2/c1-11(19)9-18-5-2-12(3-6-18)8-17-4-7-20-10-13(14,15)16/h11-12,17,19H,2-10H2,1H3.
What are the key properties of 1-[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]piperidin-1-yl]propan-2-ol?
1-[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 298.35 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 56779871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).