4-fluoropiperidine-4-carboxylic acid;hydrochloride

C6H11ClFNO2 — CID 53393267

IUPAC4-fluoropiperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(F)CCNCC1
InChIInChI=1S/C6H10FNO2.ClH/c7-6(5(9)10)1-3-8-4-2-6;/h8H,1-4H2,(H,9,10);1H
InChIKeyLCNYQNVPJCXVMP-UHFFFAOYSA-N
MW183.61 g/mol
LogP0.58
Rot. Bonds1

About 4-fluoropiperidine-4-carboxylic acid;hydrochloride

4-fluoropiperidine-4-carboxylic acid;hydrochloride (PubChem CID 53393267) has the molecular formula C6H11ClFNO2 and a molecular weight of 183.61 g/mol. Its IUPAC name is 4-fluoropiperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-fluoropiperidine-4-carboxylic acid;hydrochloride
PubChem CID53393267
Molecular FormulaC6H11ClFNO2
Molecular Weight183.61 g/mol
Exact Mass183.05
IUPAC Name4-fluoropiperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(F)CCNCC1
InChIInChI=1S/C6H10FNO2.ClH/c7-6(5(9)10)1-3-8-4-2-6;/h8H,1-4H2,(H,9,10);1H
InChIKeyLCNYQNVPJCXVMP-UHFFFAOYSA-N
XLogP0.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.61
LogP ≤ 50.58
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
CID 53393268
3-Methylpiperidine-4-carboxylic acid hydrochloride
CID 69169077
Methyl 3-fluoropiperidine-4-carboxylate hydrochloride
CID 84720949
4-Fluoro-1-methylpiperidine-4-carboxylic acid hydrochloride
CID 91667882
4-(Difluoromethyl)piperidine-4-carboxylic acid hydrochloride
CID 138040731
1-(2-Fluoroethyl)piperidine-4-carboxylic acid hydrochloride
CID 165997509
3-Methyl-4-piperidinecarboxylic acid
CID 4248617

Frequently Asked Questions

What is the IUPAC name of 4-fluoropiperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 4-fluoropiperidine-4-carboxylic acid;hydrochloride (CID 53393267) is 4-fluoropiperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-fluoropiperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 4-fluoropiperidine-4-carboxylic acid;hydrochloride is Cl.O=C(O)C1(F)CCNCC1.
What is the InChIKey of 4-fluoropiperidine-4-carboxylic acid;hydrochloride?
The InChIKey is LCNYQNVPJCXVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO2.ClH/c7-6(5(9)10)1-3-8-4-2-6;/h8H,1-4H2,(H,9,10);1H.
What are the key properties of 4-fluoropiperidine-4-carboxylic acid;hydrochloride?
4-fluoropiperidine-4-carboxylic acid;hydrochloride has a molecular weight of 183.61 g/mol, XLogP of 0.58, 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;hydrochloride is sourced from PubChem (CID 53393267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).