6-(dimethoxymethyl)-N-methyl-5-piperidin-4-ylpyridin-2-amine;2,2,2-trifluoroacetic acid

C16H24F3N3O4 — CID 138608588

IUPAC6-(dimethoxymethyl)-N-methyl-5-piperidin-4-ylpyridin-2-amine;2,2,2-trifluoroacetic acid
SMILESCNc1ccc(C2CCNCC2)c(C(OC)OC)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H23N3O2.C2HF3O2/c1-15-12-5-4-11(10-6-8-16-9-7-10)13(17-12)14(18-2)19-3;3-2(4,5)1(6)7/h4-5,10,14,16H,6-9H2,1-3H3,(H,15,17);(H,6,7)
InChIKeyJYUHCEDQOKDHNJ-UHFFFAOYSA-N
MW379.38 g/mol
LogP2.52
Rot. Bonds5

About 6-(dimethoxymethyl)-N-methyl-5-piperidin-4-ylpyridin-2-amine;2,2,2-trifluoroacetic acid

6-(dimethoxymethyl)-N-methyl-5-piperidin-4-ylpyridin-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 138608588) has the molecular formula C16H24F3N3O4 and a molecular weight of 379.38 g/mol. Its IUPAC name is 6-(dimethoxymethyl)-N-methyl-5-piperidin-4-ylpyridin-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-(dimethoxymethyl)-N-methyl-5-piperidin-4-ylpyridin-2-amine;2,2,2-trifluoroacetic acid
PubChem CID138608588
Molecular FormulaC16H24F3N3O4
Molecular Weight379.38 g/mol
Exact Mass379.17
IUPAC Name6-(dimethoxymethyl)-N-methyl-5-piperidin-4-ylpyridin-2-amine;2,2,2-trifluoroacetic acid
SMILESCNc1ccc(C2CCNCC2)c(C(OC)OC)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H23N3O2.C2HF3O2/c1-15-12-5-4-11(10-6-8-16-9-7-10)13(17-12)14(18-2)19-3;3-2(4,5)1(6)7/h4-5,10,14,16H,6-9H2,1-3H3,(H,15,17);(H,6,7)
InChIKeyJYUHCEDQOKDHNJ-UHFFFAOYSA-N
XLogP2.52
TPSA92.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 6-(dimethoxymethyl)-N-methyl-5-piperidin-4-ylpyridin-2-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 6-(dimethoxymethyl)-N-methyl-5-piperidin-4-ylpyridin-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-(dimethoxymethyl)-N-methyl-5-piperidin-4-ylpyridin-2-amine;2,2,2-trifluoroacetic acid (CID 138608588) is 6-(dimethoxymethyl)-N-methyl-5-piperidin-4-ylpyridin-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-(dimethoxymethyl)-N-methyl-5-piperidin-4-ylpyridin-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-(dimethoxymethyl)-N-methyl-5-piperidin-4-ylpyridin-2-amine;2,2,2-trifluoroacetic acid is CNc1ccc(C2CCNCC2)c(C(OC)OC)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-(dimethoxymethyl)-N-methyl-5-piperidin-4-ylpyridin-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is JYUHCEDQOKDHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2.C2HF3O2/c1-15-12-5-4-11(10-6-8-16-9-7-10)13(17-12)14(18-2)19-3;3-2(4,5)1(6)7/h4-5,10,14,16H,6-9H2,1-3H3,(H,15,17);(H,6,7).
What are the key properties of 6-(dimethoxymethyl)-N-methyl-5-piperidin-4-ylpyridin-2-amine;2,2,2-trifluoroacetic acid?
6-(dimethoxymethyl)-N-methyl-5-piperidin-4-ylpyridin-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 379.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethoxymethyl)-N-methyl-5-piperidin-4-ylpyridin-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 138608588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).