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

Pipecolic Acid
CID 849
Pipecolic acid, (-)-
CID 439227
Pipecolic acid, (+)-
CID 736316
3-(3-Boronopropyl)piperidine-2-carboxylic acid
CID 147778635
dl-Pipecolic acid hcl
CID 85923
(2R,4R)-4-methylpiperidine-2-carboxylic acid
CID 5288786
(2S,3R)-3-(2-boronoethyl)piperidine-2-carboxylic acid
CID 164619826
4-(2-Boronoethyl)piperidine-2-carboxylic acid
CID 147497008
2-Methyl-2-piperidinecarboxylic acid
CID 566731
Methyl 4-methylpiperidine-2-carboxylate
CID 15511834
2-Methylpiperidine-2-carboxylic acid hydrochloride
CID 56773798
2-Amino-3-(1-methylpiperidin-4-yl)propanoic acid
CID 59751677

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).