4-ethyl-4-fluoropiperidine-2-carboxylic acid

C8H14FNO2 — CID 18446279

IUPAC4-ethyl-4-fluoropiperidine-2-carboxylic acid
SMILESCCC1(F)CCNC(C(=O)O)C1
InChIInChI=1S/C8H14FNO2/c1-2-8(9)3-4-10-6(5-8)7(11)12/h6,10H,2-5H2,1H3,(H,11,12)
InChIKeyLVOFJETXPKGQOB-UHFFFAOYSA-N
MW175.20 g/mol
LogP0.94
Rot. Bonds2

About 4-ethyl-4-fluoropiperidine-2-carboxylic acid

4-ethyl-4-fluoropiperidine-2-carboxylic acid (PubChem CID 18446279) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is 4-ethyl-4-fluoropiperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-4-fluoropiperidine-2-carboxylic acid
PubChem CID18446279
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name4-ethyl-4-fluoropiperidine-2-carboxylic acid
SMILESCCC1(F)CCNC(C(=O)O)C1
InChIInChI=1S/C8H14FNO2/c1-2-8(9)3-4-10-6(5-8)7(11)12/h6,10H,2-5H2,1H3,(H,11,12)
InChIKeyLVOFJETXPKGQOB-UHFFFAOYSA-N
XLogP0.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-4-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride
CID 175913694
(2S,4S)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid
CID 154707113
2-ethyl-2-methyl-1,3-thiazinane-4-carboxylic acid
CID 80500428
(2S,4R)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 170166786
(6S)-2,2-difluoro-5-azaspiro[2.4]heptane-6-carboxylic acid;hydrochloride
CID 162760358
ethane;(2R)-piperidine-2-carboxylic acid
CID 157030734
1-[(2S)-4-fluoro-4-propylpyrrolidin-2-yl]ethanone
CID 142989381
azetidine-2-carboxylic acid;hydrochloride
CID 45358168
(4S)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 107773892
(2S)-4-hydroxy-4-methylpyrrolidine-2-carboxylic acid
CID 54006314
(2S)-2-amino-3-[1-[(2S)-4,4-difluoropiperidin-2-yl]ethenoxy]propanoic acid
CID 166796004
(2S,4S)-4-(3-hydroxyphenyl)-4-methylpiperidine-2-carboxylic acid
CID 124636179

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-fluoropiperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-4-fluoropiperidine-2-carboxylic acid (CID 18446279) is 4-ethyl-4-fluoropiperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-4-fluoropiperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-4-fluoropiperidine-2-carboxylic acid is CCC1(F)CCNC(C(=O)O)C1.
What is the InChIKey of 4-ethyl-4-fluoropiperidine-2-carboxylic acid?
The InChIKey is LVOFJETXPKGQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c1-2-8(9)3-4-10-6(5-8)7(11)12/h6,10H,2-5H2,1H3,(H,11,12).
What are the key properties of 4-ethyl-4-fluoropiperidine-2-carboxylic acid?
4-ethyl-4-fluoropiperidine-2-carboxylic acid has a molecular weight of 175.20 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-fluoropiperidine-2-carboxylic acid is sourced from PubChem (CID 18446279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).