N-methyl-2-(1-methylpiperidin-2-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]ethanamine

C17H26F3N3O — CID 71850298

IUPACN-methyl-2-(1-methylpiperidin-2-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]ethanamine
SMILESCN(CCC1CCCCN1C)Cc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C17H26F3N3O/c1-22(10-8-15-5-3-4-9-23(15)2)12-14-6-7-16(21-11-14)24-13-17(18,19)20/h6-7,11,15H,3-5,8-10,12-13H2,1-2H3
InChIKeyDAXCBMNSNOTAJD-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.33
Rot. Bonds7

About N-methyl-2-(1-methylpiperidin-2-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]ethanamine

N-methyl-2-(1-methylpiperidin-2-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]ethanamine (PubChem CID 71850298) has the molecular formula C17H26F3N3O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-methyl-2-(1-methylpiperidin-2-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1-methylpiperidin-2-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]ethanamine
PubChem CID71850298
Molecular FormulaC17H26F3N3O
Molecular Weight345.41 g/mol
Exact Mass345.20
IUPAC NameN-methyl-2-(1-methylpiperidin-2-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]ethanamine
SMILESCN(CCC1CCCCN1C)Cc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C17H26F3N3O/c1-22(10-8-15-5-3-4-9-23(15)2)12-14-6-7-16(21-11-14)24-13-17(18,19)20/h6-7,11,15H,3-5,8-10,12-13H2,1-2H3
InChIKeyDAXCBMNSNOTAJD-UHFFFAOYSA-N
XLogP3.33
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylpiperidin-2-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-methyl-2-(1-methylpiperidin-2-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]ethanamine (CID 71850298) is N-methyl-2-(1-methylpiperidin-2-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-methyl-2-(1-methylpiperidin-2-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-methyl-2-(1-methylpiperidin-2-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]ethanamine is CN(CCC1CCCCN1C)Cc1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-methyl-2-(1-methylpiperidin-2-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]ethanamine?
The InChIKey is DAXCBMNSNOTAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N3O/c1-22(10-8-15-5-3-4-9-23(15)2)12-14-6-7-16(21-11-14)24-13-17(18,19)20/h6-7,11,15H,3-5,8-10,12-13H2,1-2H3.
What are the key properties of N-methyl-2-(1-methylpiperidin-2-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]ethanamine?
N-methyl-2-(1-methylpiperidin-2-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]ethanamine has a molecular weight of 345.41 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylpiperidin-2-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 71850298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).