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

C11H18F2N2O2 — CID 118295041

IUPAC4-(3,3-difluoropiperidin-1-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(N2CCCC(F)(F)C2)CC1
InChIInChI=1S/C11H18F2N2O2/c12-11(13)4-1-5-15(8-11)9-2-6-14(7-3-9)10(16)17/h9H,1-8H2,(H,16,17)
InChIKeyLZRIQFUUNJSUDI-UHFFFAOYSA-N
MW248.27 g/mol
LogP1.86
Rot. Bonds1

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

4-(3,3-difluoropiperidin-1-yl)piperidine-1-carboxylic acid (PubChem CID 118295041) has the molecular formula C11H18F2N2O2 and a molecular weight of 248.27 g/mol. Its IUPAC name is 4-(3,3-difluoropiperidin-1-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(3,3-difluoropiperidin-1-yl)piperidine-1-carboxylic acid
PubChem CID118295041
Molecular FormulaC11H18F2N2O2
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name4-(3,3-difluoropiperidin-1-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(N2CCCC(F)(F)C2)CC1
InChIInChI=1S/C11H18F2N2O2/c12-11(13)4-1-5-15(8-11)9-2-6-14(7-3-9)10(16)17/h9H,1-8H2,(H,16,17)
InChIKeyLZRIQFUUNJSUDI-UHFFFAOYSA-N
XLogP1.86
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropiperidin-1-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(3,3-difluoropiperidin-1-yl)piperidine-1-carboxylic acid (CID 118295041) is 4-(3,3-difluoropiperidin-1-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(3,3-difluoropiperidin-1-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(3,3-difluoropiperidin-1-yl)piperidine-1-carboxylic acid is O=C(O)N1CCC(N2CCCC(F)(F)C2)CC1.
What is the InChIKey of 4-(3,3-difluoropiperidin-1-yl)piperidine-1-carboxylic acid?
The InChIKey is LZRIQFUUNJSUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O2/c12-11(13)4-1-5-15(8-11)9-2-6-14(7-3-9)10(16)17/h9H,1-8H2,(H,16,17).
What are the key properties of 4-(3,3-difluoropiperidin-1-yl)piperidine-1-carboxylic acid?
4-(3,3-difluoropiperidin-1-yl)piperidine-1-carboxylic acid has a molecular weight of 248.27 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropiperidin-1-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 118295041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).