3-methoxy-N-propan-2-yl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine

C13H25F3N2O — CID 103226818

IUPAC3-methoxy-N-propan-2-yl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine
SMILESCOCC(CNC(C)C)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H25F3N2O/c1-10(2)17-7-12(9-19-3)18-6-4-5-11(8-18)13(14,15)16/h10-12,17H,4-9H2,1-3H3
InChIKeyBBPHVUXHJDDBAK-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.27
Rot. Bonds6

About 3-methoxy-N-propan-2-yl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine

3-methoxy-N-propan-2-yl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine (PubChem CID 103226818) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-methoxy-N-propan-2-yl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-propan-2-yl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine
PubChem CID103226818
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name3-methoxy-N-propan-2-yl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine
SMILESCOCC(CNC(C)C)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H25F3N2O/c1-10(2)17-7-12(9-19-3)18-6-4-5-11(8-18)13(14,15)16/h10-12,17H,4-9H2,1-3H3
InChIKeyBBPHVUXHJDDBAK-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-propan-2-yl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine?
The IUPAC name of 3-methoxy-N-propan-2-yl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine (CID 103226818) is 3-methoxy-N-propan-2-yl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-propan-2-yl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-propan-2-yl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine is COCC(CNC(C)C)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-methoxy-N-propan-2-yl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine?
The InChIKey is BBPHVUXHJDDBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-10(2)17-7-12(9-19-3)18-6-4-5-11(8-18)13(14,15)16/h10-12,17H,4-9H2,1-3H3.
What are the key properties of 3-methoxy-N-propan-2-yl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine?
3-methoxy-N-propan-2-yl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine has a molecular weight of 282.35 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-propan-2-yl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine is sourced from PubChem (CID 103226818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).