N-methyl-1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine

C13H23F3N2O — CID 104746599

IUPACN-methyl-1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
SMILESCNC(CN1CCCC(C(F)(F)F)C1)C1CCOC1
InChIInChI=1S/C13H23F3N2O/c1-17-12(10-4-6-19-9-10)8-18-5-2-3-11(7-18)13(14,15)16/h10-12,17H,2-9H2,1H3
InChIKeyUUURJJONYSBUPO-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.89
Rot. Bonds4

About N-methyl-1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine

N-methyl-1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine (PubChem CID 104746599) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-methyl-1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
PubChem CID104746599
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC NameN-methyl-1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
SMILESCNC(CN1CCCC(C(F)(F)F)C1)C1CCOC1
InChIInChI=1S/C13H23F3N2O/c1-17-12(10-4-6-19-9-10)8-18-5-2-3-11(7-18)13(14,15)16/h10-12,17H,2-9H2,1H3
InChIKeyUUURJJONYSBUPO-UHFFFAOYSA-N
XLogP1.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine?
The IUPAC name of N-methyl-1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine (CID 104746599) is N-methyl-1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine.
What is the SMILES notation for N-methyl-1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine?
The canonical SMILES for N-methyl-1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine is CNC(CN1CCCC(C(F)(F)F)C1)C1CCOC1.
What is the InChIKey of N-methyl-1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine?
The InChIKey is UUURJJONYSBUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-17-12(10-4-6-19-9-10)8-18-5-2-3-11(7-18)13(14,15)16/h10-12,17H,2-9H2,1H3.
What are the key properties of N-methyl-1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine?
N-methyl-1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine has a molecular weight of 280.33 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 104746599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).