6-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxylic acid

C14H18FNO2 — CID 105375148

IUPAC6-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxylic acid
SMILESCc1ccc(F)cc1CC1CCCC(C(=O)O)N1
InChIInChI=1S/C14H18FNO2/c1-9-5-6-11(15)7-10(9)8-12-3-2-4-13(16-12)14(17)18/h5-7,12-13,16H,2-4,8H2,1H3,(H,17,18)
InChIKeyGWNWJIOOFXLQPA-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.27
Rot. Bonds3

About 6-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxylic acid

6-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxylic acid (PubChem CID 105375148) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 6-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxylic acid
PubChem CID105375148
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name6-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxylic acid
SMILESCc1ccc(F)cc1CC1CCCC(C(=O)O)N1
InChIInChI=1S/C14H18FNO2/c1-9-5-6-11(15)7-10(9)8-12-3-2-4-13(16-12)14(17)18/h5-7,12-13,16H,2-4,8H2,1H3,(H,17,18)
InChIKeyGWNWJIOOFXLQPA-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 6-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxylic acid (CID 105375148) is 6-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 6-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 6-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxylic acid is Cc1ccc(F)cc1CC1CCCC(C(=O)O)N1.
What is the InChIKey of 6-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is GWNWJIOOFXLQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-9-5-6-11(15)7-10(9)8-12-3-2-4-13(16-12)14(17)18/h5-7,12-13,16H,2-4,8H2,1H3,(H,17,18).
What are the key properties of 6-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxylic acid?
6-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 251.30 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 105375148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).