1-[2-(1-ethylpyrrolidin-3-yl)oxyethyl]-4-(trifluoromethyl)piperidine;propane

C17H33F3N2O — CID 170606737

IUPAC1-[2-(1-ethylpyrrolidin-3-yl)oxyethyl]-4-(trifluoromethyl)piperidine;propane
SMILESCCC.CCN1CCC(OCCN2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C14H25F3N2O.C3H8/c1-2-18-8-5-13(11-18)20-10-9-19-6-3-12(4-7-19)14(15,16)17;1-3-2/h12-13H,2-11H2,1H3;3H2,1-2H3
InChIKeyYPTMOBNTKHEXBX-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.79
Rot. Bonds5

About 1-[2-(1-ethylpyrrolidin-3-yl)oxyethyl]-4-(trifluoromethyl)piperidine;propane

1-[2-(1-ethylpyrrolidin-3-yl)oxyethyl]-4-(trifluoromethyl)piperidine;propane (PubChem CID 170606737) has the molecular formula C17H33F3N2O and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-[2-(1-ethylpyrrolidin-3-yl)oxyethyl]-4-(trifluoromethyl)piperidine;propane.

Molecular Properties

Compound Name1-[2-(1-ethylpyrrolidin-3-yl)oxyethyl]-4-(trifluoromethyl)piperidine;propane
PubChem CID170606737
Molecular FormulaC17H33F3N2O
Molecular Weight338.46 g/mol
Exact Mass338.25
IUPAC Name1-[2-(1-ethylpyrrolidin-3-yl)oxyethyl]-4-(trifluoromethyl)piperidine;propane
SMILESCCC.CCN1CCC(OCCN2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C14H25F3N2O.C3H8/c1-2-18-8-5-13(11-18)20-10-9-19-6-3-12(4-7-19)14(15,16)17;1-3-2/h12-13H,2-11H2,1H3;3H2,1-2H3
InChIKeyYPTMOBNTKHEXBX-UHFFFAOYSA-N
XLogP3.79
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethylpyrrolidin-3-yl)oxyethyl]-4-(trifluoromethyl)piperidine;propane?
The IUPAC name of 1-[2-(1-ethylpyrrolidin-3-yl)oxyethyl]-4-(trifluoromethyl)piperidine;propane (CID 170606737) is 1-[2-(1-ethylpyrrolidin-3-yl)oxyethyl]-4-(trifluoromethyl)piperidine;propane.
What is the SMILES notation for 1-[2-(1-ethylpyrrolidin-3-yl)oxyethyl]-4-(trifluoromethyl)piperidine;propane?
The canonical SMILES for 1-[2-(1-ethylpyrrolidin-3-yl)oxyethyl]-4-(trifluoromethyl)piperidine;propane is CCC.CCN1CCC(OCCN2CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of 1-[2-(1-ethylpyrrolidin-3-yl)oxyethyl]-4-(trifluoromethyl)piperidine;propane?
The InChIKey is YPTMOBNTKHEXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O.C3H8/c1-2-18-8-5-13(11-18)20-10-9-19-6-3-12(4-7-19)14(15,16)17;1-3-2/h12-13H,2-11H2,1H3;3H2,1-2H3.
What are the key properties of 1-[2-(1-ethylpyrrolidin-3-yl)oxyethyl]-4-(trifluoromethyl)piperidine;propane?
1-[2-(1-ethylpyrrolidin-3-yl)oxyethyl]-4-(trifluoromethyl)piperidine;propane has a molecular weight of 338.46 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethylpyrrolidin-3-yl)oxyethyl]-4-(trifluoromethyl)piperidine;propane is sourced from PubChem (CID 170606737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).