3-fluoro-3-methyl-1-piperidin-3-ylcyclobutane-1-carboxylic acid

C11H18FNO2 — CID 115029169

IUPAC3-fluoro-3-methyl-1-piperidin-3-ylcyclobutane-1-carboxylic acid
SMILESCC1(F)CC(C(=O)O)(C2CCCNC2)C1
InChIInChI=1S/C11H18FNO2/c1-10(12)6-11(7-10,9(14)15)8-3-2-4-13-5-8/h8,13H,2-7H2,1H3,(H,14,15)
InChIKeyOSZNDMWSFREAEZ-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.58
Rot. Bonds2

About 3-fluoro-3-methyl-1-piperidin-3-ylcyclobutane-1-carboxylic acid

3-fluoro-3-methyl-1-piperidin-3-ylcyclobutane-1-carboxylic acid (PubChem CID 115029169) has the molecular formula C11H18FNO2 and a molecular weight of 215.27 g/mol. Its IUPAC name is 3-fluoro-3-methyl-1-piperidin-3-ylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-3-methyl-1-piperidin-3-ylcyclobutane-1-carboxylic acid
PubChem CID115029169
Molecular FormulaC11H18FNO2
Molecular Weight215.27 g/mol
Exact Mass215.13
IUPAC Name3-fluoro-3-methyl-1-piperidin-3-ylcyclobutane-1-carboxylic acid
SMILESCC1(F)CC(C(=O)O)(C2CCCNC2)C1
InChIInChI=1S/C11H18FNO2/c1-10(12)6-11(7-10,9(14)15)8-3-2-4-13-5-8/h8,13H,2-7H2,1H3,(H,14,15)
InChIKeyOSZNDMWSFREAEZ-UHFFFAOYSA-N
XLogP1.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-difluoro-1-piperidin-3-ylcyclobutane-1-carboxylic acid
CID 115031189
methyl 1-[(3S)-piperidin-3-yl]cyclopropane-1-carboxylate
CID 124547745
3,3-dimethyl-1-piperidin-3-ylcyclobutan-1-amine
CID 115016310
4-cyclohexylpiperidine-4-carboxylic acid;formamide;hydrochloride
CID 174574194
1-cyclohexyl-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;ethane
CID 91284589
1-piperidin-3-ylcyclopropan-1-ol;hydrochloride
CID 127264219
3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)piperidine
CID 116986972
1-[[(3R)-piperidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 81139232
spiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,4'-piperidine]-3a-carboxylic acid
CID 141032802
3,3-difluoro-1-(oxan-3-yl)cyclobutane-1-carboxylic acid
CID 115031854
1-methyl-N-piperidin-3-ylcyclopropane-1-carboxamide
CID 126972708
1-[(2-methylpropan-2-yl)oxycarbonyl]-2-piperidin-3-ylpiperidine-2,3-dicarboxylic acid
CID 118878670

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-1-piperidin-3-ylcyclobutane-1-carboxylic acid?
The IUPAC name of 3-fluoro-3-methyl-1-piperidin-3-ylcyclobutane-1-carboxylic acid (CID 115029169) is 3-fluoro-3-methyl-1-piperidin-3-ylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-fluoro-3-methyl-1-piperidin-3-ylcyclobutane-1-carboxylic acid?
The canonical SMILES for 3-fluoro-3-methyl-1-piperidin-3-ylcyclobutane-1-carboxylic acid is CC1(F)CC(C(=O)O)(C2CCCNC2)C1.
What is the InChIKey of 3-fluoro-3-methyl-1-piperidin-3-ylcyclobutane-1-carboxylic acid?
The InChIKey is OSZNDMWSFREAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO2/c1-10(12)6-11(7-10,9(14)15)8-3-2-4-13-5-8/h8,13H,2-7H2,1H3,(H,14,15).
What are the key properties of 3-fluoro-3-methyl-1-piperidin-3-ylcyclobutane-1-carboxylic acid?
3-fluoro-3-methyl-1-piperidin-3-ylcyclobutane-1-carboxylic acid has a molecular weight of 215.27 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-1-piperidin-3-ylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 115029169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).