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

C11H21F3N2O — CID 103226815

IUPAC3-methoxy-N-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine
SMILESCNCC(COC)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c1-15-6-10(8-17-2)16-5-3-4-9(7-16)11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyPGJSVSKROBFWTD-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.50
Rot. Bonds5

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

3-methoxy-N-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine (PubChem CID 103226815) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-methoxy-N-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine
PubChem CID103226815
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name3-methoxy-N-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine
SMILESCNCC(COC)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c1-15-6-10(8-17-2)16-5-3-4-9(7-16)11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyPGJSVSKROBFWTD-UHFFFAOYSA-N
XLogP1.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine?
The IUPAC name of 3-methoxy-N-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine (CID 103226815) is 3-methoxy-N-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine is CNCC(COC)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-methoxy-N-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine?
The InChIKey is PGJSVSKROBFWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-15-6-10(8-17-2)16-5-3-4-9(7-16)11(12,13)14/h9-10,15H,3-8H2,1-2H3.
What are the key properties of 3-methoxy-N-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine?
3-methoxy-N-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine has a molecular weight of 254.30 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine is sourced from PubChem (CID 103226815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).