1-(5-fluoro-2-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid

C16H20FNO2 — CID 117444326

IUPAC1-(5-fluoro-2-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(F)ccc2N2CCCCC2)CCC1
InChIInChI=1S/C16H20FNO2/c17-12-5-6-14(18-9-2-1-3-10-18)13(11-12)16(15(19)20)7-4-8-16/h5-6,11H,1-4,7-10H2,(H,19,20)
InChIKeyQLEDFNQKVIUSSQ-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.32
Rot. Bonds3

About 1-(5-fluoro-2-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid

1-(5-fluoro-2-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid (PubChem CID 117444326) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-(5-fluoro-2-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoro-2-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid
PubChem CID117444326
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name1-(5-fluoro-2-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(F)ccc2N2CCCCC2)CCC1
InChIInChI=1S/C16H20FNO2/c17-12-5-6-14(18-9-2-1-3-10-18)13(11-12)16(15(19)20)7-4-8-16/h5-6,11H,1-4,7-10H2,(H,19,20)
InChIKeyQLEDFNQKVIUSSQ-UHFFFAOYSA-N
XLogP3.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 117463982
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CID 117316011
1-(4-fluoro-2-formylphenyl)cyclohexane-1-carboxylic acid
CID 117378661
1-(2-bromo-5-fluorophenyl)cyclobutane-1-carboxylic acid
CID 117434876
1-(2-amino-5-fluorophenyl)cycloheptane-1-carboxylic acid
CID 106702511
1-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxylic acid
CID 117344962
1-(3-chloro-4-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid
CID 117474090
1-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclopentan-1-amine
CID 117374393
1-(2-chloro-5-fluorophenyl)cyclopentane-1-carboxylic acid
CID 82622172
2-(azepan-1-yl)-4-fluorobenzoic acid
CID 79686942
1-[4-fluoro-2-(1-isocyanatocyclopentyl)phenyl]piperidine
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1-(5-fluoro-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid
CID 117389251

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(5-fluoro-2-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid (CID 117444326) is 1-(5-fluoro-2-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(5-fluoro-2-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(5-fluoro-2-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid is O=C(O)C1(c2cc(F)ccc2N2CCCCC2)CCC1.
What is the InChIKey of 1-(5-fluoro-2-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid?
The InChIKey is QLEDFNQKVIUSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c17-12-5-6-14(18-9-2-1-3-10-18)13(11-12)16(15(19)20)7-4-8-16/h5-6,11H,1-4,7-10H2,(H,19,20).
What are the key properties of 1-(5-fluoro-2-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid?
1-(5-fluoro-2-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid has a molecular weight of 277.34 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117444326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).