dimethyl 2-(difluoromethyl)piperidine-1,4-dicarboxylate

C10H15F2NO4 — CID 59536558

IUPACdimethyl 2-(difluoromethyl)piperidine-1,4-dicarboxylate
SMILESCOC(=O)C1CCN(C(=O)OC)C(C(F)F)C1
InChIInChI=1S/C10H15F2NO4/c1-16-9(14)6-3-4-13(10(15)17-2)7(5-6)8(11)12/h6-8H,3-5H2,1-2H3
InChIKeyARBLNTRRXVVBKQ-UHFFFAOYSA-N
MW251.23 g/mol
LogP1.27
Rot. Bonds2

About dimethyl 2-(difluoromethyl)piperidine-1,4-dicarboxylate

dimethyl 2-(difluoromethyl)piperidine-1,4-dicarboxylate (PubChem CID 59536558) has the molecular formula C10H15F2NO4 and a molecular weight of 251.23 g/mol. Its IUPAC name is dimethyl 2-(difluoromethyl)piperidine-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(difluoromethyl)piperidine-1,4-dicarboxylate
PubChem CID59536558
Molecular FormulaC10H15F2NO4
Molecular Weight251.23 g/mol
Exact Mass251.10
IUPAC Namedimethyl 2-(difluoromethyl)piperidine-1,4-dicarboxylate
SMILESCOC(=O)C1CCN(C(=O)OC)C(C(F)F)C1
InChIInChI=1S/C10H15F2NO4/c1-16-9(14)6-3-4-13(10(15)17-2)7(5-6)8(11)12/h6-8H,3-5H2,1-2H3
InChIKeyARBLNTRRXVVBKQ-UHFFFAOYSA-N
XLogP1.27
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze dimethyl 2-(difluoromethyl)piperidine-1,4-dicarboxylate 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 dimethyl 2-(difluoromethyl)piperidine-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-(difluoromethyl)piperidine-1,4-dicarboxylate (CID 59536558) is dimethyl 2-(difluoromethyl)piperidine-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-(difluoromethyl)piperidine-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-(difluoromethyl)piperidine-1,4-dicarboxylate is COC(=O)C1CCN(C(=O)OC)C(C(F)F)C1.
What is the InChIKey of dimethyl 2-(difluoromethyl)piperidine-1,4-dicarboxylate?
The InChIKey is ARBLNTRRXVVBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO4/c1-16-9(14)6-3-4-13(10(15)17-2)7(5-6)8(11)12/h6-8H,3-5H2,1-2H3.
What are the key properties of dimethyl 2-(difluoromethyl)piperidine-1,4-dicarboxylate?
dimethyl 2-(difluoromethyl)piperidine-1,4-dicarboxylate has a molecular weight of 251.23 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(difluoromethyl)piperidine-1,4-dicarboxylate is sourced from PubChem (CID 59536558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).