3-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine

C13H20F3N3 — CID 90133907

IUPAC3-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine
SMILESCN1CCC(C2(C(F)(F)F)C=C(N)C=CC2N)CC1
InChIInChI=1S/C13H20F3N3/c1-19-6-4-9(5-7-19)12(13(14,15)16)8-10(17)2-3-11(12)18/h2-3,8-9,11H,4-7,17-18H2,1H3
InChIKeyMUSNTZSFACHICV-UHFFFAOYSA-N
MW275.32 g/mol
LogP1.62
Rot. Bonds1

About 3-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine

3-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine (PubChem CID 90133907) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine
PubChem CID90133907
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC Name3-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine
SMILESCN1CCC(C2(C(F)(F)F)C=C(N)C=CC2N)CC1
InChIInChI=1S/C13H20F3N3/c1-19-6-4-9(5-7-19)12(13(14,15)16)8-10(17)2-3-11(12)18/h2-3,8-9,11H,4-7,17-18H2,1H3
InChIKeyMUSNTZSFACHICV-UHFFFAOYSA-N
XLogP1.62
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine 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-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 3-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine (CID 90133907) is 3-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine is CN1CCC(C2(C(F)(F)F)C=C(N)C=CC2N)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine?
The InChIKey is MUSNTZSFACHICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-19-6-4-9(5-7-19)12(13(14,15)16)8-10(17)2-3-11(12)18/h2-3,8-9,11H,4-7,17-18H2,1H3.
What are the key properties of 3-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine?
3-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine has a molecular weight of 275.32 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 90133907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).