1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid

C12H20F6N2O3 — CID 175208327

IUPAC1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCC(NCC(F)(F)F)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H19F3N2O.C2HF3O2/c1-16-7-6-15-4-2-9(3-5-15)14-8-10(11,12)13;3-2(4,5)1(6)7/h9,14H,2-8H2,1H3;(H,6,7)
InChIKeyHMXYKYZEWVHLFN-UHFFFAOYSA-N
MW354.29 g/mol
LogP1.88
Rot. Bonds5

About 1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid

1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 175208327) has the molecular formula C12H20F6N2O3 and a molecular weight of 354.29 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid
PubChem CID175208327
Molecular FormulaC12H20F6N2O3
Molecular Weight354.29 g/mol
Exact Mass354.14
IUPAC Name1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCC(NCC(F)(F)F)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H19F3N2O.C2HF3O2/c1-16-7-6-15-4-2-9(3-5-15)14-8-10(11,12)13;3-2(4,5)1(6)7/h9,14H,2-8H2,1H3;(H,6,7)
InChIKeyHMXYKYZEWVHLFN-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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid (CID 175208327) is 1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid is COCCN1CCC(NCC(F)(F)F)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is HMXYKYZEWVHLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O.C2HF3O2/c1-16-7-6-15-4-2-9(3-5-15)14-8-10(11,12)13;3-2(4,5)1(6)7/h9,14H,2-8H2,1H3;(H,6,7).
What are the key properties of 1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid?
1-(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 1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175208327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).