3-(4,4-difluoropiperidin-1-yl)azetidine-1-carboxylic acid

C9H14F2N2O2 — CID 141284351

IUPAC3-(4,4-difluoropiperidin-1-yl)azetidine-1-carboxylic acid
SMILESO=C(O)N1CC(N2CCC(F)(F)CC2)C1
InChIInChI=1S/C9H14F2N2O2/c10-9(11)1-3-12(4-2-9)7-5-13(6-7)8(14)15/h7H,1-6H2,(H,14,15)
InChIKeyPCHRUQPFASCEBF-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.08
Rot. Bonds1

About 3-(4,4-difluoropiperidin-1-yl)azetidine-1-carboxylic acid

3-(4,4-difluoropiperidin-1-yl)azetidine-1-carboxylic acid (PubChem CID 141284351) has the molecular formula C9H14F2N2O2 and a molecular weight of 220.22 g/mol. Its IUPAC name is 3-(4,4-difluoropiperidin-1-yl)azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(4,4-difluoropiperidin-1-yl)azetidine-1-carboxylic acid
PubChem CID141284351
Molecular FormulaC9H14F2N2O2
Molecular Weight220.22 g/mol
Exact Mass220.10
IUPAC Name3-(4,4-difluoropiperidin-1-yl)azetidine-1-carboxylic acid
SMILESO=C(O)N1CC(N2CCC(F)(F)CC2)C1
InChIInChI=1S/C9H14F2N2O2/c10-9(11)1-3-12(4-2-9)7-5-13(6-7)8(14)15/h7H,1-6H2,(H,14,15)
InChIKeyPCHRUQPFASCEBF-UHFFFAOYSA-N
XLogP1.08
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,3-difluoropyrrolidin-1-yl)azetidine-1-carboxylic acid
CID 141284358
3-(4-ethynylpiperidin-1-yl)azetidine-1-carboxylic acid
CID 155212242
1-cyclobutyl-4,4-difluoropiperidine
CID 91599149
4-(3,3-difluoroazetidin-1-yl)piperidine-1-carboxylic acid
CID 126519345
bis(4,4-difluoropiperidin-1-yl)methanone
CID 140517091
4,4-difluoro-1-(oxetan-3-yl)piperidine
CID 145419843
(3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid
CID 68628166
4,4-difluoro-1-(4-methylcyclohexyl)piperidine
CID 58395271
4,4-difluoro-1-(thiolan-3-yl)piperidine
CID 121184636
(3S,4S)-3-fluoro-4-hydroxypyrrolidine-1-carboxylic acid
CID 135307863
(3R)-3-fluoro-4-hydroxypyrrolidine-1-carboxylic acid
CID 175579106
4-(4-ethynyl-4-hydroxypiperidin-1-yl)piperidine-1-carboxylic acid
CID 174231796

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-difluoropiperidin-1-yl)azetidine-1-carboxylic acid?
The IUPAC name of 3-(4,4-difluoropiperidin-1-yl)azetidine-1-carboxylic acid (CID 141284351) is 3-(4,4-difluoropiperidin-1-yl)azetidine-1-carboxylic acid.
What is the SMILES notation for 3-(4,4-difluoropiperidin-1-yl)azetidine-1-carboxylic acid?
The canonical SMILES for 3-(4,4-difluoropiperidin-1-yl)azetidine-1-carboxylic acid is O=C(O)N1CC(N2CCC(F)(F)CC2)C1.
What is the InChIKey of 3-(4,4-difluoropiperidin-1-yl)azetidine-1-carboxylic acid?
The InChIKey is PCHRUQPFASCEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O2/c10-9(11)1-3-12(4-2-9)7-5-13(6-7)8(14)15/h7H,1-6H2,(H,14,15).
What are the key properties of 3-(4,4-difluoropiperidin-1-yl)azetidine-1-carboxylic acid?
3-(4,4-difluoropiperidin-1-yl)azetidine-1-carboxylic acid has a molecular weight of 220.22 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluoropiperidin-1-yl)azetidine-1-carboxylic acid is sourced from PubChem (CID 141284351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).