2-(2-ethylpiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)acetic acid

C16H22FNO2 — CID 84748999

IUPAC2-(2-ethylpiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)acetic acid
SMILESCCC1CCCCN1C(C(=O)O)c1ccc(F)c(C)c1
InChIInChI=1S/C16H22FNO2/c1-3-13-6-4-5-9-18(13)15(16(19)20)12-7-8-14(17)11(2)10-12/h7-8,10,13,15H,3-6,9H2,1-2H3,(H,19,20)
InChIKeyNQUQFWNOBMIFMH-UHFFFAOYSA-N
MW279.36 g/mol
LogP3.52
Rot. Bonds4

About 2-(2-ethylpiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)acetic acid

2-(2-ethylpiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)acetic acid (PubChem CID 84748999) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)acetic acid
PubChem CID84748999
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Name2-(2-ethylpiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)acetic acid
SMILESCCC1CCCCN1C(C(=O)O)c1ccc(F)c(C)c1
InChIInChI=1S/C16H22FNO2/c1-3-13-6-4-5-9-18(13)15(16(19)20)12-7-8-14(17)11(2)10-12/h7-8,10,13,15H,3-6,9H2,1-2H3,(H,19,20)
InChIKeyNQUQFWNOBMIFMH-UHFFFAOYSA-N
XLogP3.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,3-benzodioxol-5-yl)-2-(2-ethylpiperidin-1-yl)acetic acid
CID 84749040
2-(3,4-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 43266330
ethyl 2-(2-ethylazepan-1-yl)-2-phenylacetate
CID 106677138
2-(3,4-dimethylphenyl)-2-(2-ethylazepan-1-yl)ethanamine
CID 104689217
3-(2-ethylpiperidin-1-yl)-3-phenylpropanoic acid
CID 55147079
2-(4-chlorophenyl)-2-(2-methylpiperidin-1-yl)acetic acid
CID 82345110
(1S,3S)-1,3-bis(3,4-dimethylphenyl)-1,3-bis[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-one
CID 174728911
2-(2-ethylpiperidin-1-yl)propanoic acid
CID 20985444
(2S)-2-[(2S)-2-ethylpiperidin-1-yl]-2-phenylethanol
CID 10609696
2-(2-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-one
CID 43227547
2-(2-ethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-one
CID 104690703
4-chloro-2-(2-ethylpiperidin-1-yl)benzoic acid
CID 63081491

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)acetic acid?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)acetic acid (CID 84748999) is 2-(2-ethylpiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)acetic acid.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)acetic acid?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)acetic acid is CCC1CCCCN1C(C(=O)O)c1ccc(F)c(C)c1.
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)acetic acid?
The InChIKey is NQUQFWNOBMIFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-3-13-6-4-5-9-18(13)15(16(19)20)12-7-8-14(17)11(2)10-12/h7-8,10,13,15H,3-6,9H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-ethylpiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)acetic acid?
2-(2-ethylpiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)acetic acid has a molecular weight of 279.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)acetic acid is sourced from PubChem (CID 84748999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).