3-ethyl-4,4-difluoro-1-methyl-3-(2-propan-2-yloxyethyl)piperidine

C13H25F2NO — CID 177126096

IUPAC3-ethyl-4,4-difluoro-1-methyl-3-(2-propan-2-yloxyethyl)piperidine
SMILESCCC1(CCOC(C)C)CN(C)CCC1(F)F
InChIInChI=1S/C13H25F2NO/c1-5-12(7-9-17-11(2)3)10-16(4)8-6-13(12,14)15/h11H,5-10H2,1-4H3
InChIKeyVDUKECVGCHMOOL-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.17
Rot. Bonds5

About 3-ethyl-4,4-difluoro-1-methyl-3-(2-propan-2-yloxyethyl)piperidine

3-ethyl-4,4-difluoro-1-methyl-3-(2-propan-2-yloxyethyl)piperidine (PubChem CID 177126096) has the molecular formula C13H25F2NO and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-ethyl-4,4-difluoro-1-methyl-3-(2-propan-2-yloxyethyl)piperidine.

Molecular Properties

Compound Name3-ethyl-4,4-difluoro-1-methyl-3-(2-propan-2-yloxyethyl)piperidine
PubChem CID177126096
Molecular FormulaC13H25F2NO
Molecular Weight249.34 g/mol
Exact Mass249.19
IUPAC Name3-ethyl-4,4-difluoro-1-methyl-3-(2-propan-2-yloxyethyl)piperidine
SMILESCCC1(CCOC(C)C)CN(C)CCC1(F)F
InChIInChI=1S/C13H25F2NO/c1-5-12(7-9-17-11(2)3)10-16(4)8-6-13(12,14)15/h11H,5-10H2,1-4H3
InChIKeyVDUKECVGCHMOOL-UHFFFAOYSA-N
XLogP3.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-4,4-difluoro-1-methyl-3-(2-propan-2-yloxyethyl)piperidine 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-ethyl-4,4-difluoro-1-methyl-3-(2-propan-2-yloxyethyl)piperidine?
The IUPAC name of 3-ethyl-4,4-difluoro-1-methyl-3-(2-propan-2-yloxyethyl)piperidine (CID 177126096) is 3-ethyl-4,4-difluoro-1-methyl-3-(2-propan-2-yloxyethyl)piperidine.
What is the SMILES notation for 3-ethyl-4,4-difluoro-1-methyl-3-(2-propan-2-yloxyethyl)piperidine?
The canonical SMILES for 3-ethyl-4,4-difluoro-1-methyl-3-(2-propan-2-yloxyethyl)piperidine is CCC1(CCOC(C)C)CN(C)CCC1(F)F.
What is the InChIKey of 3-ethyl-4,4-difluoro-1-methyl-3-(2-propan-2-yloxyethyl)piperidine?
The InChIKey is VDUKECVGCHMOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2NO/c1-5-12(7-9-17-11(2)3)10-16(4)8-6-13(12,14)15/h11H,5-10H2,1-4H3.
What are the key properties of 3-ethyl-4,4-difluoro-1-methyl-3-(2-propan-2-yloxyethyl)piperidine?
3-ethyl-4,4-difluoro-1-methyl-3-(2-propan-2-yloxyethyl)piperidine has a molecular weight of 249.34 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,4-difluoro-1-methyl-3-(2-propan-2-yloxyethyl)piperidine is sourced from PubChem (CID 177126096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).