N-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid

C8H15F3N2O2 — CID 174559373

IUPACN-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESCNC1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2.C2HF3O2/c1-7-6-2-4-8-5-3-6;3-2(4,5)1(6)7/h6-8H,2-5H2,1H3;(H,6,7)
InChIKeyAJGCGPNHOHQYLK-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.59
Rot. Bonds1

About N-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid

N-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 174559373) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is N-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid
PubChem CID174559373
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC NameN-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESCNC1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2.C2HF3O2/c1-7-6-2-4-8-5-3-6;3-2(4,5)1(6)7/h6-8H,2-5H2,1H3;(H,6,7)
InChIKeyAJGCGPNHOHQYLK-UHFFFAOYSA-N
XLogP0.59
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-methylpiperidin-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-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid (CID 174559373) is N-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid is CNC1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is AJGCGPNHOHQYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C2HF3O2/c1-7-6-2-4-8-5-3-6;3-2(4,5)1(6)7/h6-8H,2-5H2,1H3;(H,6,7).
What are the key properties of N-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid?
N-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 228.21 g/mol, XLogP of 0.59, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174559373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).