3-(4,4-difluoropiperidin-1-yl)-N,5-dimethylaniline

C13H18F2N2 — CID 167273261

IUPAC3-(4,4-difluoropiperidin-1-yl)-N,5-dimethylaniline
SMILESCNc1cc(C)cc(N2CCC(F)(F)CC2)c1
InChIInChI=1S/C13H18F2N2/c1-10-7-11(16-2)9-12(8-10)17-5-3-13(14,15)4-6-17/h7-9,16H,3-6H2,1-2H3
InChIKeyJQTGILSLKUXDOT-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.27
Rot. Bonds2

About 3-(4,4-difluoropiperidin-1-yl)-N,5-dimethylaniline

3-(4,4-difluoropiperidin-1-yl)-N,5-dimethylaniline (PubChem CID 167273261) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-(4,4-difluoropiperidin-1-yl)-N,5-dimethylaniline.

Molecular Properties

Compound Name3-(4,4-difluoropiperidin-1-yl)-N,5-dimethylaniline
PubChem CID167273261
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name3-(4,4-difluoropiperidin-1-yl)-N,5-dimethylaniline
SMILESCNc1cc(C)cc(N2CCC(F)(F)CC2)c1
InChIInChI=1S/C13H18F2N2/c1-10-7-11(16-2)9-12(8-10)17-5-3-13(14,15)4-6-17/h7-9,16H,3-6H2,1-2H3
InChIKeyJQTGILSLKUXDOT-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-difluoropiperidin-1-yl)-N,5-dimethylaniline?
The IUPAC name of 3-(4,4-difluoropiperidin-1-yl)-N,5-dimethylaniline (CID 167273261) is 3-(4,4-difluoropiperidin-1-yl)-N,5-dimethylaniline.
What is the SMILES notation for 3-(4,4-difluoropiperidin-1-yl)-N,5-dimethylaniline?
The canonical SMILES for 3-(4,4-difluoropiperidin-1-yl)-N,5-dimethylaniline is CNc1cc(C)cc(N2CCC(F)(F)CC2)c1.
What is the InChIKey of 3-(4,4-difluoropiperidin-1-yl)-N,5-dimethylaniline?
The InChIKey is JQTGILSLKUXDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-10-7-11(16-2)9-12(8-10)17-5-3-13(14,15)4-6-17/h7-9,16H,3-6H2,1-2H3.
What are the key properties of 3-(4,4-difluoropiperidin-1-yl)-N,5-dimethylaniline?
3-(4,4-difluoropiperidin-1-yl)-N,5-dimethylaniline has a molecular weight of 240.30 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluoropiperidin-1-yl)-N,5-dimethylaniline is sourced from PubChem (CID 167273261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).