1-fluoro-3-methylpiperidine-2-carboxylic acid

C7H12FNO2 — CID 150218118

IUPAC1-fluoro-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(F)C1C(=O)O
InChIInChI=1S/C7H12FNO2/c1-5-3-2-4-9(8)6(5)7(10)11/h5-6H,2-4H2,1H3,(H,10,11)
InChIKeyFSXGYLZETKGQOM-UHFFFAOYSA-N
MW161.18 g/mol
LogP1.06
Rot. Bonds1

About 1-fluoro-3-methylpiperidine-2-carboxylic acid

1-fluoro-3-methylpiperidine-2-carboxylic acid (PubChem CID 150218118) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 1-fluoro-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-fluoro-3-methylpiperidine-2-carboxylic acid
PubChem CID150218118
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name1-fluoro-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(F)C1C(=O)O
InChIInChI=1S/C7H12FNO2/c1-5-3-2-4-9(8)6(5)7(10)11/h5-6H,2-4H2,1H3,(H,10,11)
InChIKeyFSXGYLZETKGQOM-UHFFFAOYSA-N
XLogP1.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-fluoro-3-methylpiperidine-2-carboxylic acid (CID 150218118) is 1-fluoro-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-fluoro-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-fluoro-3-methylpiperidine-2-carboxylic acid is CC1CCCN(F)C1C(=O)O.
What is the InChIKey of 1-fluoro-3-methylpiperidine-2-carboxylic acid?
The InChIKey is FSXGYLZETKGQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-5-3-2-4-9(8)6(5)7(10)11/h5-6H,2-4H2,1H3,(H,10,11).
What are the key properties of 1-fluoro-3-methylpiperidine-2-carboxylic acid?
1-fluoro-3-methylpiperidine-2-carboxylic acid has a molecular weight of 161.18 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 150218118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).