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

C11H21F3N2O — CID 107505837

IUPAC1-methoxy-N-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-amine
SMILESCNC(COC)CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c1-15-10(8-17-2)7-16-5-3-4-9(6-16)11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyQRPKRLHLQPXEOJ-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.50
Rot. Bonds5

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

1-methoxy-N-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-amine (PubChem CID 107505837) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-methoxy-N-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-amine
PubChem CID107505837
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name1-methoxy-N-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-amine
SMILESCNC(COC)CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c1-15-10(8-17-2)7-16-5-3-4-9(6-16)11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyQRPKRLHLQPXEOJ-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 1-methoxy-N-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-amine?
The IUPAC name of 1-methoxy-N-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-amine (CID 107505837) is 1-methoxy-N-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-amine is CNC(COC)CN1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-methoxy-N-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-amine?
The InChIKey is QRPKRLHLQPXEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-15-10(8-17-2)7-16-5-3-4-9(6-16)11(12,13)14/h9-10,15H,3-8H2,1-2H3.
What are the key properties of 1-methoxy-N-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-amine?
1-methoxy-N-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-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 1-methoxy-N-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-amine is sourced from PubChem (CID 107505837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).