1-cyclobutyl-3-fluoropiperidine-3-carboxylic acid

C10H16FNO2 — CID 115022244

IUPAC1-cyclobutyl-3-fluoropiperidine-3-carboxylic acid
SMILESO=C(O)C1(F)CCCN(C2CCC2)C1
InChIInChI=1S/C10H16FNO2/c11-10(9(13)14)5-2-6-12(7-10)8-3-1-4-8/h8H,1-7H2,(H,13,14)
InChIKeyHDZSCSCQRZACBC-UHFFFAOYSA-N
MW201.24 g/mol
LogP1.43
Rot. Bonds2

About 1-cyclobutyl-3-fluoropiperidine-3-carboxylic acid

1-cyclobutyl-3-fluoropiperidine-3-carboxylic acid (PubChem CID 115022244) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is 1-cyclobutyl-3-fluoropiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclobutyl-3-fluoropiperidine-3-carboxylic acid
PubChem CID115022244
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Name1-cyclobutyl-3-fluoropiperidine-3-carboxylic acid
SMILESO=C(O)C1(F)CCCN(C2CCC2)C1
InChIInChI=1S/C10H16FNO2/c11-10(9(13)14)5-2-6-12(7-10)8-3-1-4-8/h8H,1-7H2,(H,13,14)
InChIKeyHDZSCSCQRZACBC-UHFFFAOYSA-N
XLogP1.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 115022243
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CID 117011831
1-cycloheptyl-3-propylpiperidine-3-carboxylic acid
CID 65068602
1-cyclobutyl-4-(difluoromethyl)piperidine-4-carboxylic acid
CID 115039380
2-hydroxy-3,5,6,7,8,8a-hexahydro-1H-indolizine-2-carboxylic acid
CID 83906916
3-fluoro-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 115731713
fluoro 4-(3,3-difluoropiperidin-1-yl)piperidine-1-carboxylate
CID 177326834
(3-amino-1-cyclopentylpiperidin-3-yl)methanol
CID 115021565
3-methyl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxylic acid
CID 65068628
3-ethyl-1-(4-methylcyclohexyl)piperidine-3-carboxylic acid
CID 64747777
1-cyclobutyl-4,4-difluoropiperidine
CID 91599149

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-fluoropiperidine-3-carboxylic acid?
The IUPAC name of 1-cyclobutyl-3-fluoropiperidine-3-carboxylic acid (CID 115022244) is 1-cyclobutyl-3-fluoropiperidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclobutyl-3-fluoropiperidine-3-carboxylic acid?
The canonical SMILES for 1-cyclobutyl-3-fluoropiperidine-3-carboxylic acid is O=C(O)C1(F)CCCN(C2CCC2)C1.
What is the InChIKey of 1-cyclobutyl-3-fluoropiperidine-3-carboxylic acid?
The InChIKey is HDZSCSCQRZACBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO2/c11-10(9(13)14)5-2-6-12(7-10)8-3-1-4-8/h8H,1-7H2,(H,13,14).
What are the key properties of 1-cyclobutyl-3-fluoropiperidine-3-carboxylic acid?
1-cyclobutyl-3-fluoropiperidine-3-carboxylic acid has a molecular weight of 201.24 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-fluoropiperidine-3-carboxylic acid is sourced from PubChem (CID 115022244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).