4-[(2-fluorophenyl)methyl]piperidine-4-carboxylic acid

C13H16FNO2 — CID 22240592

IUPAC4-[(2-fluorophenyl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1(Cc2ccccc2F)CCNCC1
InChIInChI=1S/C13H16FNO2/c14-11-4-2-1-3-10(11)9-13(12(16)17)5-7-15-8-6-13/h1-4,15H,5-9H2,(H,16,17)
InChIKeyBLCAKVJZERPMBH-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.82
Rot. Bonds3

About 4-[(2-fluorophenyl)methyl]piperidine-4-carboxylic acid

4-[(2-fluorophenyl)methyl]piperidine-4-carboxylic acid (PubChem CID 22240592) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl]piperidine-4-carboxylic acid
PubChem CID22240592
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name4-[(2-fluorophenyl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1(Cc2ccccc2F)CCNCC1
InChIInChI=1S/C13H16FNO2/c14-11-4-2-1-3-10(11)9-13(12(16)17)5-7-15-8-6-13/h1-4,15H,5-9H2,(H,16,17)
InChIKeyBLCAKVJZERPMBH-UHFFFAOYSA-N
XLogP1.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-[(2-fluorophenyl)methyl]piperidine-4-carboxylic acid (CID 22240592) is 4-[(2-fluorophenyl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-[(2-fluorophenyl)methyl]piperidine-4-carboxylic acid is O=C(O)C1(Cc2ccccc2F)CCNCC1.
What is the InChIKey of 4-[(2-fluorophenyl)methyl]piperidine-4-carboxylic acid?
The InChIKey is BLCAKVJZERPMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-11-4-2-1-3-10(11)9-13(12(16)17)5-7-15-8-6-13/h1-4,15H,5-9H2,(H,16,17).
What are the key properties of 4-[(2-fluorophenyl)methyl]piperidine-4-carboxylic acid?
4-[(2-fluorophenyl)methyl]piperidine-4-carboxylic acid has a molecular weight of 237.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 22240592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).