[3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine

C12H23F3N2O — CID 113365437

IUPAC[3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine
SMILESCC1CC(C)C(CN)N(CCOCC(F)(F)F)C1
InChIInChI=1S/C12H23F3N2O/c1-9-5-10(2)11(6-16)17(7-9)3-4-18-8-12(13,14)15/h9-11H,3-8,16H2,1-2H3
InChIKeyHQHQCMGWBZVGMX-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.87
Rot. Bonds5

About [3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine

[3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine (PubChem CID 113365437) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is [3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine
PubChem CID113365437
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name[3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine
SMILESCC1CC(C)C(CN)N(CCOCC(F)(F)F)C1
InChIInChI=1S/C12H23F3N2O/c1-9-5-10(2)11(6-16)17(7-9)3-4-18-8-12(13,14)15/h9-11H,3-8,16H2,1-2H3
InChIKeyHQHQCMGWBZVGMX-UHFFFAOYSA-N
XLogP1.87
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.87
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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Related Compounds

[3,5-dimethyl-1-(2-morpholin-4-ylethyl)piperidin-2-yl]methanamine
CID 113365446
[6-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-2-yl]methanamine
CID 102938817
[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine
CID 61490445
[3-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine
CID 82736146
1-[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 124677486
2,5,5-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 64840444
[4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanamine
CID 63841522
2-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]ethanamine
CID 79478924
[4-methoxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine
CID 112622698
1,2,5-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
CID 55259527
2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine
CID 63762470
2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592249

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine?
The IUPAC name of [3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine (CID 113365437) is [3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine?
The canonical SMILES for [3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine is CC1CC(C)C(CN)N(CCOCC(F)(F)F)C1.
What is the InChIKey of [3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine?
The InChIKey is HQHQCMGWBZVGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-9-5-10(2)11(6-16)17(7-9)3-4-18-8-12(13,14)15/h9-11H,3-8,16H2,1-2H3.
What are the key properties of [3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine?
[3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine has a molecular weight of 268.32 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 113365437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).