4-fluoropiperidine-4-carboxylic acid

C6H10FNO2 — CID 53393268

IUPAC4-fluoropiperidine-4-carboxylic acid
SMILESO=C(O)C1(F)CCNCC1
InChIInChI=1S/C6H10FNO2/c7-6(5(9)10)1-3-8-4-2-6/h8H,1-4H2,(H,9,10)
InChIKeyHCCMWFNZFOHBOA-UHFFFAOYSA-N
MW147.15 g/mol
LogP0.16
Rot. Bonds1

About 4-fluoropiperidine-4-carboxylic acid

4-fluoropiperidine-4-carboxylic acid (PubChem CID 53393268) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is 4-fluoropiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-fluoropiperidine-4-carboxylic acid
PubChem CID53393268
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Name4-fluoropiperidine-4-carboxylic acid
SMILESO=C(O)C1(F)CCNCC1
InChIInChI=1S/C6H10FNO2/c7-6(5(9)10)1-3-8-4-2-6/h8H,1-4H2,(H,9,10)
InChIKeyHCCMWFNZFOHBOA-UHFFFAOYSA-N
XLogP0.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Piperidinecarboxylic acid
CID 3773
Isonipecotic acid hydrochloride
CID 22298
4-Ethylpiperidine-4-carboxylic acid hydrochloride
CID 50944202
4-Ethylpiperidine-4-carboxylic acid
CID 50944203
4-Methylpiperidine-4-carboxylic acid hydrochloride
CID 51000379
4-Fluoropiperidine-4-carboxylic acid hydrochloride
CID 53393267
3-Methylpiperidine-4-carboxylic acid hydrochloride
CID 69169077
Methyl 3-fluoropiperidine-4-carboxylate hydrochloride
CID 84720949
4-(Difluoromethyl)piperidine-4-carboxylic acid hydrochloride
CID 138040731
4-Aminopiperidine-4-carboxylic acid
CID 1514306
3-Methyl-4-piperidinecarboxylic acid
CID 4248617
3,3-Difluoropiperidine-4-carboxylic acid
CID 83480508

Frequently Asked Questions

What is the IUPAC name of 4-fluoropiperidine-4-carboxylic acid?
The IUPAC name of 4-fluoropiperidine-4-carboxylic acid (CID 53393268) is 4-fluoropiperidine-4-carboxylic acid.
What is the SMILES notation for 4-fluoropiperidine-4-carboxylic acid?
The canonical SMILES for 4-fluoropiperidine-4-carboxylic acid is O=C(O)C1(F)CCNCC1.
What is the InChIKey of 4-fluoropiperidine-4-carboxylic acid?
The InChIKey is HCCMWFNZFOHBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO2/c7-6(5(9)10)1-3-8-4-2-6/h8H,1-4H2,(H,9,10).
What are the key properties of 4-fluoropiperidine-4-carboxylic acid?
4-fluoropiperidine-4-carboxylic acid has a molecular weight of 147.15 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoropiperidine-4-carboxylic acid is sourced from PubChem (CID 53393268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).