3,3-difluoro-N-methylpiperidin-4-amine;ethane

C8H18F2N2 — CID 162525334

IUPAC3,3-difluoro-N-methylpiperidin-4-amine;ethane
SMILESCC.CNC1CCNCC1(F)F
InChIInChI=1S/C6H12F2N2.C2H6/c1-9-5-2-3-10-4-6(5,7)8;1-2/h5,9-10H,2-4H2,1H3;1-2H3
InChIKeyJXXPBMSTBRFUHH-UHFFFAOYSA-N
MW180.24 g/mol
LogP1.23
Rot. Bonds1

About 3,3-difluoro-N-methylpiperidin-4-amine;ethane

3,3-difluoro-N-methylpiperidin-4-amine;ethane (PubChem CID 162525334) has the molecular formula C8H18F2N2 and a molecular weight of 180.24 g/mol. Its IUPAC name is 3,3-difluoro-N-methylpiperidin-4-amine;ethane.

Molecular Properties

Compound Name3,3-difluoro-N-methylpiperidin-4-amine;ethane
PubChem CID162525334
Molecular FormulaC8H18F2N2
Molecular Weight180.24 g/mol
Exact Mass180.14
IUPAC Name3,3-difluoro-N-methylpiperidin-4-amine;ethane
SMILESCC.CNC1CCNCC1(F)F
InChIInChI=1S/C6H12F2N2.C2H6/c1-9-5-2-3-10-4-6(5,7)8;1-2/h5,9-10H,2-4H2,1H3;1-2H3
InChIKeyJXXPBMSTBRFUHH-UHFFFAOYSA-N
XLogP1.23
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,3-difluoro-N-methylpiperidin-4-amine;ethane 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 3,3-difluoro-N-methylpiperidin-4-amine;ethane?
The IUPAC name of 3,3-difluoro-N-methylpiperidin-4-amine;ethane (CID 162525334) is 3,3-difluoro-N-methylpiperidin-4-amine;ethane.
What is the SMILES notation for 3,3-difluoro-N-methylpiperidin-4-amine;ethane?
The canonical SMILES for 3,3-difluoro-N-methylpiperidin-4-amine;ethane is CC.CNC1CCNCC1(F)F.
What is the InChIKey of 3,3-difluoro-N-methylpiperidin-4-amine;ethane?
The InChIKey is JXXPBMSTBRFUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2.C2H6/c1-9-5-2-3-10-4-6(5,7)8;1-2/h5,9-10H,2-4H2,1H3;1-2H3.
What are the key properties of 3,3-difluoro-N-methylpiperidin-4-amine;ethane?
3,3-difluoro-N-methylpiperidin-4-amine;ethane has a molecular weight of 180.24 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-methylpiperidin-4-amine;ethane is sourced from PubChem (CID 162525334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).