(3R)-3-methoxypiperidine;2,2,2-trifluoroacetic acid

C8H14F3NO3 — CID 67155456

IUPAC(3R)-3-methoxypiperidine;2,2,2-trifluoroacetic acid
SMILESCO[C@@H]1CCCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H13NO.C2HF3O2/c1-8-6-3-2-4-7-5-6;3-2(4,5)1(6)7/h6-7H,2-5H2,1H3;(H,6,7)/t6-;/m1./s1
InChIKeyLIJYIWOUGNVZAL-FYZOBXCZSA-N
MW229.20 g/mol
LogP1.02
Rot. Bonds1

About (3R)-3-methoxypiperidine;2,2,2-trifluoroacetic acid

(3R)-3-methoxypiperidine;2,2,2-trifluoroacetic acid (PubChem CID 67155456) has the molecular formula C8H14F3NO3 and a molecular weight of 229.20 g/mol. Its IUPAC name is (3R)-3-methoxypiperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3R)-3-methoxypiperidine;2,2,2-trifluoroacetic acid
PubChem CID67155456
Molecular FormulaC8H14F3NO3
Molecular Weight229.20 g/mol
Exact Mass229.09
IUPAC Name(3R)-3-methoxypiperidine;2,2,2-trifluoroacetic acid
SMILESCO[C@@H]1CCCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H13NO.C2HF3O2/c1-8-6-3-2-4-7-5-6;3-2(4,5)1(6)7/h6-7H,2-5H2,1H3;(H,6,7)/t6-;/m1./s1
InChIKeyLIJYIWOUGNVZAL-FYZOBXCZSA-N
XLogP1.02
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-3-methoxypiperidine;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 (3R)-3-methoxypiperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of (3R)-3-methoxypiperidine;2,2,2-trifluoroacetic acid (CID 67155456) is (3R)-3-methoxypiperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3R)-3-methoxypiperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3R)-3-methoxypiperidine;2,2,2-trifluoroacetic acid is CO[C@@H]1CCCNC1.O=C(O)C(F)(F)F.
What is the InChIKey of (3R)-3-methoxypiperidine;2,2,2-trifluoroacetic acid?
The InChIKey is LIJYIWOUGNVZAL-FYZOBXCZSA-N. The full InChI is InChI=1S/C6H13NO.C2HF3O2/c1-8-6-3-2-4-7-5-6;3-2(4,5)1(6)7/h6-7H,2-5H2,1H3;(H,6,7)/t6-;/m1./s1.
What are the key properties of (3R)-3-methoxypiperidine;2,2,2-trifluoroacetic acid?
(3R)-3-methoxypiperidine;2,2,2-trifluoroacetic acid has a molecular weight of 229.20 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methoxypiperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67155456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).