3-(2-ethylpiperidin-1-yl)-3-phenylpropanoic acid

C16H23NO2 — CID 55147079

IUPAC3-(2-ethylpiperidin-1-yl)-3-phenylpropanoic acid
SMILESCCC1CCCCN1C(CC(=O)O)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-2-14-10-6-7-11-17(14)15(12-16(18)19)13-8-4-3-5-9-13/h3-5,8-9,14-15H,2,6-7,10-12H2,1H3,(H,18,19)
InChIKeyKDMTUEHQBGFYAF-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.47
Rot. Bonds5

About 3-(2-ethylpiperidin-1-yl)-3-phenylpropanoic acid

3-(2-ethylpiperidin-1-yl)-3-phenylpropanoic acid (PubChem CID 55147079) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-(2-ethylpiperidin-1-yl)-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-(2-ethylpiperidin-1-yl)-3-phenylpropanoic acid
PubChem CID55147079
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name3-(2-ethylpiperidin-1-yl)-3-phenylpropanoic acid
SMILESCCC1CCCCN1C(CC(=O)O)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-2-14-10-6-7-11-17(14)15(12-16(18)19)13-8-4-3-5-9-13/h3-5,8-9,14-15H,2,6-7,10-12H2,1H3,(H,18,19)
InChIKeyKDMTUEHQBGFYAF-UHFFFAOYSA-N
XLogP3.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-ethylpyrrolidin-1-yl)-3-phenylpropanoic acid
CID 63075093
(2S)-2-[(2S)-2-ethylpiperidin-1-yl]-2-phenylethanol
CID 10609696
3-(2-ethylpiperidin-1-yl)-3-thiophen-2-ylpropanoic acid
CID 82134042
2-(2-ethylpiperidin-1-yl)-2-phenylethanamine
CID 43266409
ethyl 2-(2-ethylazepan-1-yl)-2-phenylacetate
CID 106677138
2-[1-(2-methoxy-1-phenylethyl)piperidin-2-yl]acetic acid
CID 103466206
(2S)-2-phenyl-2-[(2S)-2-propylpiperidin-1-yl]ethanol
CID 10490739
(2R)-2-[(2-ethylpiperidine-1-carbonyl)amino]-2-phenylacetic acid
CID 61196822
3-[2-(hydroxymethyl)piperidin-1-yl]-3-phenylpropanethioamide
CID 62779946
N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]-3-phenylpropanimidamide
CID 76949180
3-(3-methylphenyl)-3-(2-methylpiperidin-1-yl)propanoic acid
CID 82133126
(2R)-2-[(2S)-2-pentylpiperidin-1-yl]-2-phenylethanol
CID 10636143

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpiperidin-1-yl)-3-phenylpropanoic acid?
The IUPAC name of 3-(2-ethylpiperidin-1-yl)-3-phenylpropanoic acid (CID 55147079) is 3-(2-ethylpiperidin-1-yl)-3-phenylpropanoic acid.
What is the SMILES notation for 3-(2-ethylpiperidin-1-yl)-3-phenylpropanoic acid?
The canonical SMILES for 3-(2-ethylpiperidin-1-yl)-3-phenylpropanoic acid is CCC1CCCCN1C(CC(=O)O)c1ccccc1.
What is the InChIKey of 3-(2-ethylpiperidin-1-yl)-3-phenylpropanoic acid?
The InChIKey is KDMTUEHQBGFYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-14-10-6-7-11-17(14)15(12-16(18)19)13-8-4-3-5-9-13/h3-5,8-9,14-15H,2,6-7,10-12H2,1H3,(H,18,19).
What are the key properties of 3-(2-ethylpiperidin-1-yl)-3-phenylpropanoic acid?
3-(2-ethylpiperidin-1-yl)-3-phenylpropanoic acid has a molecular weight of 261.36 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpiperidin-1-yl)-3-phenylpropanoic acid is sourced from PubChem (CID 55147079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).