N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid

C12H20F6N2O3 — CID 126511688

IUPACN-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESCOCCN(CC(F)(F)F)C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H19F3N2O.C2HF3O2/c1-16-7-6-15(8-10(11,12)13)9-2-4-14-5-3-9;3-2(4,5)1(6)7/h9,14H,2-8H2,1H3;(H,6,7)
InChIKeyZCSOXTWAMBZBFI-UHFFFAOYSA-N
MW354.29 g/mol
LogP1.88
Rot. Bonds5

About N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid

N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 126511688) has the molecular formula C12H20F6N2O3 and a molecular weight of 354.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid
PubChem CID126511688
Molecular FormulaC12H20F6N2O3
Molecular Weight354.29 g/mol
Exact Mass354.14
IUPAC NameN-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESCOCCN(CC(F)(F)F)C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H19F3N2O.C2HF3O2/c1-16-7-6-15(8-10(11,12)13)9-2-4-14-5-3-9;3-2(4,5)1(6)7/h9,14H,2-8H2,1H3;(H,6,7)
InChIKeyZCSOXTWAMBZBFI-UHFFFAOYSA-N
XLogP1.88
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid (CID 126511688) is N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid is COCCN(CC(F)(F)F)C1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is ZCSOXTWAMBZBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O.C2HF3O2/c1-16-7-6-15(8-10(11,12)13)9-2-4-14-5-3-9;3-2(4,5)1(6)7/h9,14H,2-8H2,1H3;(H,6,7).
What are the key properties of N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid?
N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 354.29 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 126511688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).