[(2S,3R)-5,5-difluoro-1,3-dimethylpiperidin-2-yl]methanamine

C8H16F2N2 — CID 138624276

IUPAC[(2S,3R)-5,5-difluoro-1,3-dimethylpiperidin-2-yl]methanamine
SMILESC[C@@H]1CC(F)(F)CN(C)[C@@H]1CN
InChIInChI=1S/C8H16F2N2/c1-6-3-8(9,10)5-12(2)7(6)4-11/h6-7H,3-5,11H2,1-2H3/t6-,7-/m1/s1
InChIKeyPAKHNAPHPWWTKK-RNFRBKRXSA-N
MW178.23 g/mol
LogP0.92
Rot. Bonds1

About [(2S,3R)-5,5-difluoro-1,3-dimethylpiperidin-2-yl]methanamine

[(2S,3R)-5,5-difluoro-1,3-dimethylpiperidin-2-yl]methanamine (PubChem CID 138624276) has the molecular formula C8H16F2N2 and a molecular weight of 178.23 g/mol. Its IUPAC name is [(2S,3R)-5,5-difluoro-1,3-dimethylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S,3R)-5,5-difluoro-1,3-dimethylpiperidin-2-yl]methanamine
PubChem CID138624276
Molecular FormulaC8H16F2N2
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC Name[(2S,3R)-5,5-difluoro-1,3-dimethylpiperidin-2-yl]methanamine
SMILESC[C@@H]1CC(F)(F)CN(C)[C@@H]1CN
InChIInChI=1S/C8H16F2N2/c1-6-3-8(9,10)5-12(2)7(6)4-11/h6-7H,3-5,11H2,1-2H3/t6-,7-/m1/s1
InChIKeyPAKHNAPHPWWTKK-RNFRBKRXSA-N
XLogP0.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2S,3R)-5,5-difluoro-1,3-dimethylpiperidin-2-yl]methanamine 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 [(2S,3R)-5,5-difluoro-1,3-dimethylpiperidin-2-yl]methanamine?
The IUPAC name of [(2S,3R)-5,5-difluoro-1,3-dimethylpiperidin-2-yl]methanamine (CID 138624276) is [(2S,3R)-5,5-difluoro-1,3-dimethylpiperidin-2-yl]methanamine.
What is the SMILES notation for [(2S,3R)-5,5-difluoro-1,3-dimethylpiperidin-2-yl]methanamine?
The canonical SMILES for [(2S,3R)-5,5-difluoro-1,3-dimethylpiperidin-2-yl]methanamine is C[C@@H]1CC(F)(F)CN(C)[C@@H]1CN.
What is the InChIKey of [(2S,3R)-5,5-difluoro-1,3-dimethylpiperidin-2-yl]methanamine?
The InChIKey is PAKHNAPHPWWTKK-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H16F2N2/c1-6-3-8(9,10)5-12(2)7(6)4-11/h6-7H,3-5,11H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of [(2S,3R)-5,5-difluoro-1,3-dimethylpiperidin-2-yl]methanamine?
[(2S,3R)-5,5-difluoro-1,3-dimethylpiperidin-2-yl]methanamine has a molecular weight of 178.23 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-5,5-difluoro-1,3-dimethylpiperidin-2-yl]methanamine is sourced from PubChem (CID 138624276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).