3-methyl-4-piperidin-1-ylpiperidine;2,2,2-trifluoroacetic acid

C13H23F3N2O2 — CID 134325062

IUPAC3-methyl-4-piperidin-1-ylpiperidine;2,2,2-trifluoroacetic acid
SMILESCC1CNCCC1N1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H22N2.C2HF3O2/c1-10-9-12-6-5-11(10)13-7-3-2-4-8-13;3-2(4,5)1(6)7/h10-12H,2-9H2,1H3;(H,6,7)
InChIKeyKJLPZLCPUCJCSQ-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.10
Rot. Bonds1

About 3-methyl-4-piperidin-1-ylpiperidine;2,2,2-trifluoroacetic acid

3-methyl-4-piperidin-1-ylpiperidine;2,2,2-trifluoroacetic acid (PubChem CID 134325062) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-methyl-4-piperidin-1-ylpiperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-methyl-4-piperidin-1-ylpiperidine;2,2,2-trifluoroacetic acid
PubChem CID134325062
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name3-methyl-4-piperidin-1-ylpiperidine;2,2,2-trifluoroacetic acid
SMILESCC1CNCCC1N1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H22N2.C2HF3O2/c1-10-9-12-6-5-11(10)13-7-3-2-4-8-13;3-2(4,5)1(6)7/h10-12H,2-9H2,1H3;(H,6,7)
InChIKeyKJLPZLCPUCJCSQ-UHFFFAOYSA-N
XLogP2.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-4-piperidin-1-ylpiperidine;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 3-methyl-4-piperidin-1-ylpiperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-methyl-4-piperidin-1-ylpiperidine;2,2,2-trifluoroacetic acid (CID 134325062) is 3-methyl-4-piperidin-1-ylpiperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-methyl-4-piperidin-1-ylpiperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-methyl-4-piperidin-1-ylpiperidine;2,2,2-trifluoroacetic acid is CC1CNCCC1N1CCCCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-methyl-4-piperidin-1-ylpiperidine;2,2,2-trifluoroacetic acid?
The InChIKey is KJLPZLCPUCJCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.C2HF3O2/c1-10-9-12-6-5-11(10)13-7-3-2-4-8-13;3-2(4,5)1(6)7/h10-12H,2-9H2,1H3;(H,6,7).
What are the key properties of 3-methyl-4-piperidin-1-ylpiperidine;2,2,2-trifluoroacetic acid?
3-methyl-4-piperidin-1-ylpiperidine;2,2,2-trifluoroacetic acid has a molecular weight of 296.33 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-piperidin-1-ylpiperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 134325062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).