2,2-difluoropropyl 2-piperidin-1-ylcyclohexane-1-carboxylate

C15H25F2NO2 — CID 58341580

IUPAC2,2-difluoropropyl 2-piperidin-1-ylcyclohexane-1-carboxylate
SMILESCC(F)(F)COC(=O)C1CCCCC1N1CCCCC1
InChIInChI=1S/C15H25F2NO2/c1-15(16,17)11-20-14(19)12-7-3-4-8-13(12)18-9-5-2-6-10-18/h12-13H,2-11H2,1H3
InChIKeyNBGRRDGXCNDGNS-UHFFFAOYSA-N
MW289.37 g/mol
LogP3.23
Rot. Bonds4

About 2,2-difluoropropyl 2-piperidin-1-ylcyclohexane-1-carboxylate

2,2-difluoropropyl 2-piperidin-1-ylcyclohexane-1-carboxylate (PubChem CID 58341580) has the molecular formula C15H25F2NO2 and a molecular weight of 289.37 g/mol. Its IUPAC name is 2,2-difluoropropyl 2-piperidin-1-ylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name2,2-difluoropropyl 2-piperidin-1-ylcyclohexane-1-carboxylate
PubChem CID58341580
Molecular FormulaC15H25F2NO2
Molecular Weight289.37 g/mol
Exact Mass289.19
IUPAC Name2,2-difluoropropyl 2-piperidin-1-ylcyclohexane-1-carboxylate
SMILESCC(F)(F)COC(=O)C1CCCCC1N1CCCCC1
InChIInChI=1S/C15H25F2NO2/c1-15(16,17)11-20-14(19)12-7-3-4-8-13(12)18-9-5-2-6-10-18/h12-13H,2-11H2,1H3
InChIKeyNBGRRDGXCNDGNS-UHFFFAOYSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2-difluoropropyl 2-piperidin-1-ylcyclohexane-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 2,2-difluoropropyl 2-piperidin-1-ylcyclohexane-1-carboxylate?
The IUPAC name of 2,2-difluoropropyl 2-piperidin-1-ylcyclohexane-1-carboxylate (CID 58341580) is 2,2-difluoropropyl 2-piperidin-1-ylcyclohexane-1-carboxylate.
What is the SMILES notation for 2,2-difluoropropyl 2-piperidin-1-ylcyclohexane-1-carboxylate?
The canonical SMILES for 2,2-difluoropropyl 2-piperidin-1-ylcyclohexane-1-carboxylate is CC(F)(F)COC(=O)C1CCCCC1N1CCCCC1.
What is the InChIKey of 2,2-difluoropropyl 2-piperidin-1-ylcyclohexane-1-carboxylate?
The InChIKey is NBGRRDGXCNDGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2NO2/c1-15(16,17)11-20-14(19)12-7-3-4-8-13(12)18-9-5-2-6-10-18/h12-13H,2-11H2,1H3.
What are the key properties of 2,2-difluoropropyl 2-piperidin-1-ylcyclohexane-1-carboxylate?
2,2-difluoropropyl 2-piperidin-1-ylcyclohexane-1-carboxylate has a molecular weight of 289.37 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropropyl 2-piperidin-1-ylcyclohexane-1-carboxylate is sourced from PubChem (CID 58341580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).