4-(3,3-difluoroazetidin-1-yl)piperidine-1-carboxylic acid

C9H14F2N2O2 — CID 126519345

IUPAC4-(3,3-difluoroazetidin-1-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(N2CC(F)(F)C2)CC1
InChIInChI=1S/C9H14F2N2O2/c10-9(11)5-13(6-9)7-1-3-12(4-2-7)8(14)15/h7H,1-6H2,(H,14,15)
InChIKeyYQESETPSWVJUNG-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.08
Rot. Bonds1

About 4-(3,3-difluoroazetidin-1-yl)piperidine-1-carboxylic acid

4-(3,3-difluoroazetidin-1-yl)piperidine-1-carboxylic acid (PubChem CID 126519345) has the molecular formula C9H14F2N2O2 and a molecular weight of 220.22 g/mol. Its IUPAC name is 4-(3,3-difluoroazetidin-1-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(3,3-difluoroazetidin-1-yl)piperidine-1-carboxylic acid
PubChem CID126519345
Molecular FormulaC9H14F2N2O2
Molecular Weight220.22 g/mol
Exact Mass220.10
IUPAC Name4-(3,3-difluoroazetidin-1-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(N2CC(F)(F)C2)CC1
InChIInChI=1S/C9H14F2N2O2/c10-9(11)5-13(6-9)7-1-3-12(4-2-7)8(14)15/h7H,1-6H2,(H,14,15)
InChIKeyYQESETPSWVJUNG-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

2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-3-ethyl-6-azaspiro[3.4]octane-6-carboxylic acid
CID 155034219
3-(3,3-difluoropyrrolidin-1-yl)azetidine-1-carboxylic acid
CID 141284358
[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174732113
[1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl] carbamate
CID 175528009
fluoro 4-(3,3-difluoropiperidin-1-yl)piperidine-1-carboxylate
CID 177326834
4-(4-ethynyl-4-hydroxypiperidin-1-yl)piperidine-1-carboxylic acid
CID 174231796
4-(3-methylsulfonyloxyazetidin-1-yl)piperidine-1-carboxylic acid
CID 141313976
4-(4-methylsulfonylpiperazin-1-yl)piperidine-1-carboxylic acid
CID 71147624
4-(3,3-difluoroazetidin-1-yl)cyclohexan-1-one
CID 89330353
3-(4,4-difluoropiperidin-1-yl)azetidine-1-carboxylic acid
CID 141284351
3,3-difluoropiperidine-1,4-dicarboxylic acid
CID 144706599
[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] N-[(1S)-1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl]carbamate;hydrochloride
CID 174209943

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoroazetidin-1-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(3,3-difluoroazetidin-1-yl)piperidine-1-carboxylic acid (CID 126519345) is 4-(3,3-difluoroazetidin-1-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(3,3-difluoroazetidin-1-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(3,3-difluoroazetidin-1-yl)piperidine-1-carboxylic acid is O=C(O)N1CCC(N2CC(F)(F)C2)CC1.
What is the InChIKey of 4-(3,3-difluoroazetidin-1-yl)piperidine-1-carboxylic acid?
The InChIKey is YQESETPSWVJUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O2/c10-9(11)5-13(6-9)7-1-3-12(4-2-7)8(14)15/h7H,1-6H2,(H,14,15).
What are the key properties of 4-(3,3-difluoroazetidin-1-yl)piperidine-1-carboxylic acid?
4-(3,3-difluoroazetidin-1-yl)piperidine-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 4-(3,3-difluoroazetidin-1-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 126519345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).