4-fluoro-1-methylpiperidine-4-carboxylic acid;hydrochloride

C7H13ClFNO2 — CID 91667882

IUPAC4-fluoro-1-methylpiperidine-4-carboxylic acid;hydrochloride
SMILESCN1CCC(F)(C(=O)O)CC1.Cl
InChIInChI=1S/C7H12FNO2.ClH/c1-9-4-2-7(8,3-5-9)6(10)11;/h2-5H2,1H3,(H,10,11);1H
InChIKeyRMGWXQCGBXWRME-UHFFFAOYSA-N
MW197.64 g/mol
LogP0.93
Rot. Bonds1

About 4-fluoro-1-methylpiperidine-4-carboxylic acid;hydrochloride

4-fluoro-1-methylpiperidine-4-carboxylic acid;hydrochloride (PubChem CID 91667882) has the molecular formula C7H13ClFNO2 and a molecular weight of 197.64 g/mol. Its IUPAC name is 4-fluoro-1-methylpiperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-fluoro-1-methylpiperidine-4-carboxylic acid;hydrochloride
PubChem CID91667882
Molecular FormulaC7H13ClFNO2
Molecular Weight197.64 g/mol
Exact Mass197.06
IUPAC Name4-fluoro-1-methylpiperidine-4-carboxylic acid;hydrochloride
SMILESCN1CCC(F)(C(=O)O)CC1.Cl
InChIInChI=1S/C7H12FNO2.ClH/c1-9-4-2-7(8,3-5-9)6(10)11;/h2-5H2,1H3,(H,10,11);1H
InChIKeyRMGWXQCGBXWRME-UHFFFAOYSA-N
XLogP0.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.64
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methylpiperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 4-fluoro-1-methylpiperidine-4-carboxylic acid;hydrochloride (CID 91667882) is 4-fluoro-1-methylpiperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-fluoro-1-methylpiperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 4-fluoro-1-methylpiperidine-4-carboxylic acid;hydrochloride is CN1CCC(F)(C(=O)O)CC1.Cl.
What is the InChIKey of 4-fluoro-1-methylpiperidine-4-carboxylic acid;hydrochloride?
The InChIKey is RMGWXQCGBXWRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2.ClH/c1-9-4-2-7(8,3-5-9)6(10)11;/h2-5H2,1H3,(H,10,11);1H.
What are the key properties of 4-fluoro-1-methylpiperidine-4-carboxylic acid;hydrochloride?
4-fluoro-1-methylpiperidine-4-carboxylic acid;hydrochloride has a molecular weight of 197.64 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methylpiperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 91667882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).