2,2,2-trifluoro-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]ethanamine

C10H19F3N2 — CID 63132921

IUPAC2,2,2-trifluoro-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]ethanamine
SMILESCN(CC(F)(F)F)CC1(C)CCCNC1
InChIInChI=1S/C10H19F3N2/c1-9(4-3-5-14-6-9)7-15(2)8-10(11,12)13/h14H,3-8H2,1-2H3
InChIKeyRYPHQSYUDKSHJM-UHFFFAOYSA-N
MW224.27 g/mol
LogP1.87
Rot. Bonds3

About 2,2,2-trifluoro-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]ethanamine

2,2,2-trifluoro-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]ethanamine (PubChem CID 63132921) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]ethanamine
PubChem CID63132921
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name2,2,2-trifluoro-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]ethanamine
SMILESCN(CC(F)(F)F)CC1(C)CCCNC1
InChIInChI=1S/C10H19F3N2/c1-9(4-3-5-14-6-9)7-15(2)8-10(11,12)13/h14H,3-8H2,1-2H3
InChIKeyRYPHQSYUDKSHJM-UHFFFAOYSA-N
XLogP1.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]ethanamine (CID 63132921) is 2,2,2-trifluoro-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]ethanamine is CN(CC(F)(F)F)CC1(C)CCCNC1.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]ethanamine?
The InChIKey is RYPHQSYUDKSHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-9(4-3-5-14-6-9)7-15(2)8-10(11,12)13/h14H,3-8H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]ethanamine?
2,2,2-trifluoro-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]ethanamine has a molecular weight of 224.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 63132921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).