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

C13H25F3N2O — CID 107505836

IUPAC1-methoxy-N-propyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-amine
SMILESCCCNC(COC)CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H25F3N2O/c1-3-6-17-12(10-19-2)9-18-7-4-5-11(8-18)13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyIITOVYUVTUUENT-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.28
Rot. Bonds7

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

1-methoxy-N-propyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-amine (PubChem CID 107505836) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-methoxy-N-propyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-propyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-amine
PubChem CID107505836
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name1-methoxy-N-propyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-amine
SMILESCCCNC(COC)CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H25F3N2O/c1-3-6-17-12(10-19-2)9-18-7-4-5-11(8-18)13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyIITOVYUVTUUENT-UHFFFAOYSA-N
XLogP2.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-propyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-amine?
The IUPAC name of 1-methoxy-N-propyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-amine (CID 107505836) is 1-methoxy-N-propyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-propyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-propyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-amine is CCCNC(COC)CN1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-methoxy-N-propyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-amine?
The InChIKey is IITOVYUVTUUENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-3-6-17-12(10-19-2)9-18-7-4-5-11(8-18)13(14,15)16/h11-12,17H,3-10H2,1-2H3.
What are the key properties of 1-methoxy-N-propyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-amine?
1-methoxy-N-propyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-amine has a molecular weight of 282.35 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-propyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-amine is sourced from PubChem (CID 107505836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).