4-(3,5-dimethylpiperidin-1-yl)-3,5-difluoroaniline

C13H18F2N2 — CID 54902521

IUPAC4-(3,5-dimethylpiperidin-1-yl)-3,5-difluoroaniline
SMILESCC1CC(C)CN(c2c(F)cc(N)cc2F)C1
InChIInChI=1S/C13H18F2N2/c1-8-3-9(2)7-17(6-8)13-11(14)4-10(16)5-12(13)15/h4-5,8-9H,3,6-7,16H2,1-2H3
InChIKeyRDCFOPPPHSQXAN-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.03
Rot. Bonds1

About 4-(3,5-dimethylpiperidin-1-yl)-3,5-difluoroaniline

4-(3,5-dimethylpiperidin-1-yl)-3,5-difluoroaniline (PubChem CID 54902521) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)-3,5-difluoroaniline.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)-3,5-difluoroaniline
PubChem CID54902521
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)-3,5-difluoroaniline
SMILESCC1CC(C)CN(c2c(F)cc(N)cc2F)C1
InChIInChI=1S/C13H18F2N2/c1-8-3-9(2)7-17(6-8)13-11(14)4-10(16)5-12(13)15/h4-5,8-9H,3,6-7,16H2,1-2H3
InChIKeyRDCFOPPPHSQXAN-UHFFFAOYSA-N
XLogP3.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(3,5-dimethylpiperidin-1-yl)-3,5-difluoroaniline 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 4-(3,5-dimethylpiperidin-1-yl)-3,5-difluoroaniline?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-3,5-difluoroaniline (CID 54902521) is 4-(3,5-dimethylpiperidin-1-yl)-3,5-difluoroaniline.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)-3,5-difluoroaniline?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)-3,5-difluoroaniline is CC1CC(C)CN(c2c(F)cc(N)cc2F)C1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)-3,5-difluoroaniline?
The InChIKey is RDCFOPPPHSQXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-8-3-9(2)7-17(6-8)13-11(14)4-10(16)5-12(13)15/h4-5,8-9H,3,6-7,16H2,1-2H3.
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)-3,5-difluoroaniline?
4-(3,5-dimethylpiperidin-1-yl)-3,5-difluoroaniline has a molecular weight of 240.30 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)-3,5-difluoroaniline is sourced from PubChem (CID 54902521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).