3-ethyl-1-(3-phenylprop-2-enyl)piperidine-3-carboxylic acid

C17H23NO2 — CID 76986276

IUPAC3-ethyl-1-(3-phenylprop-2-enyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(CC=Cc2ccccc2)C1
InChIInChI=1S/C17H23NO2/c1-2-17(16(19)20)11-7-13-18(14-17)12-6-10-15-8-4-3-5-9-15/h3-6,8-10H,2,7,11-14H2,1H3,(H,19,20)
InChIKeyHUOIIDQGDYGDPL-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.28
Rot. Bonds5

About 3-ethyl-1-(3-phenylprop-2-enyl)piperidine-3-carboxylic acid

3-ethyl-1-(3-phenylprop-2-enyl)piperidine-3-carboxylic acid (PubChem CID 76986276) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-ethyl-1-(3-phenylprop-2-enyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(3-phenylprop-2-enyl)piperidine-3-carboxylic acid
PubChem CID76986276
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-ethyl-1-(3-phenylprop-2-enyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(CC=Cc2ccccc2)C1
InChIInChI=1S/C17H23NO2/c1-2-17(16(19)20)11-7-13-18(14-17)12-6-10-15-8-4-3-5-9-15/h3-6,8-10H,2,7,11-14H2,1H3,(H,19,20)
InChIKeyHUOIIDQGDYGDPL-UHFFFAOYSA-N
XLogP3.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(3-methoxypropyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylic acid
CID 97117701
3-methyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-3-carboxylic acid
CID 55167121
3-ethyl-1-(3-phenoxypropyl)piperidine-3-carboxylic acid
CID 63137224
2-methyl-1-(3-phenylprop-2-enyl)pyrrolidine-2-carboxylic acid
CID 77024923
1-(3-phenylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 76951361
(4R,5S)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[4.5]decan-4-ol
CID 165422452
1-[(2-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 63137008
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
3-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 80722620
1-[2-(2-chlorophenoxy)ethyl]-3-ethylpiperidine-3-carboxylic acid
CID 63136958
[(3R)-3-(3-methoxypropyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol
CID 97143432
[(3S)-3-ethyl-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methanol
CID 97129799

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-phenylprop-2-enyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(3-phenylprop-2-enyl)piperidine-3-carboxylic acid (CID 76986276) is 3-ethyl-1-(3-phenylprop-2-enyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(3-phenylprop-2-enyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(3-phenylprop-2-enyl)piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(CC=Cc2ccccc2)C1.
What is the InChIKey of 3-ethyl-1-(3-phenylprop-2-enyl)piperidine-3-carboxylic acid?
The InChIKey is HUOIIDQGDYGDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-17(16(19)20)11-7-13-18(14-17)12-6-10-15-8-4-3-5-9-15/h3-6,8-10H,2,7,11-14H2,1H3,(H,19,20).
What are the key properties of 3-ethyl-1-(3-phenylprop-2-enyl)piperidine-3-carboxylic acid?
3-ethyl-1-(3-phenylprop-2-enyl)piperidine-3-carboxylic acid has a molecular weight of 273.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-phenylprop-2-enyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 76986276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).