4-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline

C13H18F2N2 — CID 116991205

IUPAC4-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline
SMILESCNc1ccc(CN2CCC(F)(F)CC2)cc1
InChIInChI=1S/C13H18F2N2/c1-16-12-4-2-11(3-5-12)10-17-8-6-13(14,15)7-9-17/h2-5,16H,6-10H2,1H3
InChIKeyQMIIIRLPIXTRIN-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.96
Rot. Bonds3

About 4-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline

4-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline (PubChem CID 116991205) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline
PubChem CID116991205
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name4-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline
SMILESCNc1ccc(CN2CCC(F)(F)CC2)cc1
InChIInChI=1S/C13H18F2N2/c1-16-12-4-2-11(3-5-12)10-17-8-6-13(14,15)7-9-17/h2-5,16H,6-10H2,1H3
InChIKeyQMIIIRLPIXTRIN-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline 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-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline?
The IUPAC name of 4-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline (CID 116991205) is 4-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline.
What is the SMILES notation for 4-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline?
The canonical SMILES for 4-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline is CNc1ccc(CN2CCC(F)(F)CC2)cc1.
What is the InChIKey of 4-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline?
The InChIKey is QMIIIRLPIXTRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-16-12-4-2-11(3-5-12)10-17-8-6-13(14,15)7-9-17/h2-5,16H,6-10H2,1H3.
What are the key properties of 4-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline?
4-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline has a molecular weight of 240.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline is sourced from PubChem (CID 116991205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).