1-fluoropiperidine-2-carboxylic acid

C6H10FNO2 — CID 141427951

IUPAC1-fluoropiperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1F
InChIInChI=1S/C6H10FNO2/c7-8-4-2-1-3-5(8)6(9)10/h5H,1-4H2,(H,9,10)
InChIKeyKAAIQPJYMGKNGH-UHFFFAOYSA-N
MW147.15 g/mol
LogP0.81
Rot. Bonds1

About 1-fluoropiperidine-2-carboxylic acid

1-fluoropiperidine-2-carboxylic acid (PubChem CID 141427951) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is 1-fluoropiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-fluoropiperidine-2-carboxylic acid
PubChem CID141427951
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Name1-fluoropiperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1F
InChIInChI=1S/C6H10FNO2/c7-8-4-2-1-3-5(8)6(9)10/h5H,1-4H2,(H,9,10)
InChIKeyKAAIQPJYMGKNGH-UHFFFAOYSA-N
XLogP0.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pipecolic Acid
CID 849
Pipecolic acid, (-)-
CID 439227
Pipecolic acid, (+)-
CID 736316
Homostachydrine
CID 441447
N-Nitrosopipecolic acid
CID 20614
1-Methylpiperidine-2-carboxylic acid
CID 415939
(2R)-1-methylpiperidine-2-carboxylic acid
CID 11286529
N-hydroxypipecolic acid
CID 269025
1,6-dimethylpiperidine-2-carboxylic Acid
CID 4457948
N-hydroxy-L-pipecolic acid
CID 92246037
HBOA trihexose
CID 4479243
1-Ethylpiperidine-2-carboxylic acid
CID 22016545

Frequently Asked Questions

What is the IUPAC name of 1-fluoropiperidine-2-carboxylic acid?
The IUPAC name of 1-fluoropiperidine-2-carboxylic acid (CID 141427951) is 1-fluoropiperidine-2-carboxylic acid.
What is the SMILES notation for 1-fluoropiperidine-2-carboxylic acid?
The canonical SMILES for 1-fluoropiperidine-2-carboxylic acid is O=C(O)C1CCCCN1F.
What is the InChIKey of 1-fluoropiperidine-2-carboxylic acid?
The InChIKey is KAAIQPJYMGKNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO2/c7-8-4-2-1-3-5(8)6(9)10/h5H,1-4H2,(H,9,10).
What are the key properties of 1-fluoropiperidine-2-carboxylic acid?
1-fluoropiperidine-2-carboxylic acid has a molecular weight of 147.15 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropiperidine-2-carboxylic acid is sourced from PubChem (CID 141427951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).