5-(difluoromethoxy)piperidine-3-carboxylic acid

C7H11F2NO3 — CID 130804723

IUPAC5-(difluoromethoxy)piperidine-3-carboxylic acid
SMILESO=C(O)C1CNCC(OC(F)F)C1
InChIInChI=1S/C7H11F2NO3/c8-7(9)13-5-1-4(6(11)12)2-10-3-5/h4-5,7,10H,1-3H2,(H,11,12)
InChIKeyBBJDPTFANPASJA-UHFFFAOYSA-N
MW195.16 g/mol
LogP0.29
Rot. Bonds3

About 5-(difluoromethoxy)piperidine-3-carboxylic acid

5-(difluoromethoxy)piperidine-3-carboxylic acid (PubChem CID 130804723) has the molecular formula C7H11F2NO3 and a molecular weight of 195.16 g/mol. Its IUPAC name is 5-(difluoromethoxy)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(difluoromethoxy)piperidine-3-carboxylic acid
PubChem CID130804723
Molecular FormulaC7H11F2NO3
Molecular Weight195.16 g/mol
Exact Mass195.07
IUPAC Name5-(difluoromethoxy)piperidine-3-carboxylic acid
SMILESO=C(O)C1CNCC(OC(F)F)C1
InChIInChI=1S/C7H11F2NO3/c8-7(9)13-5-1-4(6(11)12)2-10-3-5/h4-5,7,10H,1-3H2,(H,11,12)
InChIKeyBBJDPTFANPASJA-UHFFFAOYSA-N
XLogP0.29
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(difluoromethoxy)piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,5R)-5-fluoropiperidine-3-carboxylic acid
CID 45090389
5-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxypiperidine-3-carboxylic acid
CID 114598179
5-[2-(2-methylpropoxy)ethoxy]piperidine-3-carboxylic acid
CID 106453624
(3S,4R)-4-(difluoromethoxy)pyrrolidine-3-carboxylic acid
CID 174209462
(5S)-5-aminopiperidine-3-carboxylic acid
CID 66697162
2,2,2-trifluoroacetic acid;3-(1,2,2-trifluoroethoxy)azetidine
CID 175349695
5-[2-[cyclopropyl(ethyl)amino]-2-oxoethoxy]piperidine-3-carboxylic acid
CID 114598055
bis(azetidine-3-carboxylic acid);sulfuric acid
CID 175702403
2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine-3-carboxylic acid
CID 83816195
(3R,5S)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypiperidine-3-carboxylic acid
CID 154776209
tert-butyl formate;3-(difluoromethoxy)azetidine
CID 174766143
methyl (3S,5S)-5-methoxypiperidine-3-carboxylate
CID 124509731

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)piperidine-3-carboxylic acid?
The IUPAC name of 5-(difluoromethoxy)piperidine-3-carboxylic acid (CID 130804723) is 5-(difluoromethoxy)piperidine-3-carboxylic acid.
What is the SMILES notation for 5-(difluoromethoxy)piperidine-3-carboxylic acid?
The canonical SMILES for 5-(difluoromethoxy)piperidine-3-carboxylic acid is O=C(O)C1CNCC(OC(F)F)C1.
What is the InChIKey of 5-(difluoromethoxy)piperidine-3-carboxylic acid?
The InChIKey is BBJDPTFANPASJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO3/c8-7(9)13-5-1-4(6(11)12)2-10-3-5/h4-5,7,10H,1-3H2,(H,11,12).
What are the key properties of 5-(difluoromethoxy)piperidine-3-carboxylic acid?
5-(difluoromethoxy)piperidine-3-carboxylic acid has a molecular weight of 195.16 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)piperidine-3-carboxylic acid is sourced from PubChem (CID 130804723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).