N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]ethanamine

C12H23F3N2O — CID 55257424

IUPACN-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]ethanamine
SMILESCNC(C)C1CCCCN1CCOCC(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-10(16-2)11-5-3-4-6-17(11)7-8-18-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyWPWDGWKJIWCSKQ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.03
Rot. Bonds6

About N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]ethanamine

N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]ethanamine (PubChem CID 55257424) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]ethanamine
PubChem CID55257424
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC NameN-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]ethanamine
SMILESCNC(C)C1CCCCN1CCOCC(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-10(16-2)11-5-3-4-6-17(11)7-8-18-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyWPWDGWKJIWCSKQ-UHFFFAOYSA-N
XLogP2.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]ethanamine (CID 55257424) is N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]ethanamine is CNC(C)C1CCCCN1CCOCC(F)(F)F.
What is the InChIKey of N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]ethanamine?
The InChIKey is WPWDGWKJIWCSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-10(16-2)11-5-3-4-6-17(11)7-8-18-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3.
What are the key properties of N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]ethanamine?
N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]ethanamine has a molecular weight of 268.32 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 55257424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).