methyl 3-(2,2-difluoroethylamino)-5-propylpiperidine-1-carboxylate

C12H22F2N2O2 — CID 83992923

IUPACmethyl 3-(2,2-difluoroethylamino)-5-propylpiperidine-1-carboxylate
SMILESCCCC1CC(NCC(F)F)CN(C(=O)OC)C1
InChIInChI=1S/C12H22F2N2O2/c1-3-4-9-5-10(15-6-11(13)14)8-16(7-9)12(17)18-2/h9-11,15H,3-8H2,1-2H3
InChIKeyKZORGLXMWGEDIS-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.10
Rot. Bonds5

About methyl 3-(2,2-difluoroethylamino)-5-propylpiperidine-1-carboxylate

methyl 3-(2,2-difluoroethylamino)-5-propylpiperidine-1-carboxylate (PubChem CID 83992923) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 3-(2,2-difluoroethylamino)-5-propylpiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2,2-difluoroethylamino)-5-propylpiperidine-1-carboxylate
PubChem CID83992923
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Namemethyl 3-(2,2-difluoroethylamino)-5-propylpiperidine-1-carboxylate
SMILESCCCC1CC(NCC(F)F)CN(C(=O)OC)C1
InChIInChI=1S/C12H22F2N2O2/c1-3-4-9-5-10(15-6-11(13)14)8-16(7-9)12(17)18-2/h9-11,15H,3-8H2,1-2H3
InChIKeyKZORGLXMWGEDIS-UHFFFAOYSA-N
XLogP2.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-(2,2-difluoroethylamino)-5-propylpiperidine-1-carboxylate 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 methyl 3-(2,2-difluoroethylamino)-5-propylpiperidine-1-carboxylate?
The IUPAC name of methyl 3-(2,2-difluoroethylamino)-5-propylpiperidine-1-carboxylate (CID 83992923) is methyl 3-(2,2-difluoroethylamino)-5-propylpiperidine-1-carboxylate.
What is the SMILES notation for methyl 3-(2,2-difluoroethylamino)-5-propylpiperidine-1-carboxylate?
The canonical SMILES for methyl 3-(2,2-difluoroethylamino)-5-propylpiperidine-1-carboxylate is CCCC1CC(NCC(F)F)CN(C(=O)OC)C1.
What is the InChIKey of methyl 3-(2,2-difluoroethylamino)-5-propylpiperidine-1-carboxylate?
The InChIKey is KZORGLXMWGEDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c1-3-4-9-5-10(15-6-11(13)14)8-16(7-9)12(17)18-2/h9-11,15H,3-8H2,1-2H3.
What are the key properties of methyl 3-(2,2-difluoroethylamino)-5-propylpiperidine-1-carboxylate?
methyl 3-(2,2-difluoroethylamino)-5-propylpiperidine-1-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,2-difluoroethylamino)-5-propylpiperidine-1-carboxylate is sourced from PubChem (CID 83992923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).