1-ethyl-4-prop-2-enylpiperidine-4-carboxylic acid

C11H19NO2 — CID 163236372

IUPAC1-ethyl-4-prop-2-enylpiperidine-4-carboxylic acid
SMILESC=CCC1(C(=O)O)CCN(CC)CC1
InChIInChI=1S/C11H19NO2/c1-3-5-11(10(13)14)6-8-12(4-2)9-7-11/h3H,1,4-9H2,2H3,(H,13,14)
InChIKeySJLROZLEKPMELM-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.75
Rot. Bonds4

About 1-ethyl-4-prop-2-enylpiperidine-4-carboxylic acid

1-ethyl-4-prop-2-enylpiperidine-4-carboxylic acid (PubChem CID 163236372) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-ethyl-4-prop-2-enylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-prop-2-enylpiperidine-4-carboxylic acid
PubChem CID163236372
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-ethyl-4-prop-2-enylpiperidine-4-carboxylic acid
SMILESC=CCC1(C(=O)O)CCN(CC)CC1
InChIInChI=1S/C11H19NO2/c1-3-5-11(10(13)14)6-8-12(4-2)9-7-11/h3H,1,4-9H2,2H3,(H,13,14)
InChIKeySJLROZLEKPMELM-UHFFFAOYSA-N
XLogP1.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-1-ethylpiperidine-4-carboxylic acid
CID 83907010
1-ethyl-4-(methylamino)piperidine-4-carboxylic acid
CID 43753645
1-ethyl-4-fluoropiperidine-4-carboxylic acid;hydrochloride
CID 90079651
1-hept-6-enyl-3-propylpyrrolidine-3-carboxylic acid
CID 107007842
ethyl 1-prop-2-enylcyclopropane-1-carboxylate
CID 12619317
1-(2-bromoprop-2-enyl)-4-ethylpiperidine-4-carboxylic acid
CID 63126160
1-[(1-cyclobutylpyrazol-4-yl)methyl]-4-prop-2-enylpiperidine-4-carboxylic acid
CID 167919475
4-(diethylamino)-1-ethylpiperidine-4-carboxylic acid
CID 43803639
3,5-dimethyl-1-prop-2-enylcyclohexane-1-carboxylic acid
CID 165442273
1-(4-ethylpiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145616
1-(2-methylprop-2-enyl)-4-propylpiperidine-4-carboxylic acid
CID 63126976
(3S)-1-(4-methylpiperazine-1-carbonyl)-3-prop-2-enylpiperidine-3-carboxylic acid
CID 97120677

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-prop-2-enylpiperidine-4-carboxylic acid?
The IUPAC name of 1-ethyl-4-prop-2-enylpiperidine-4-carboxylic acid (CID 163236372) is 1-ethyl-4-prop-2-enylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-prop-2-enylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-ethyl-4-prop-2-enylpiperidine-4-carboxylic acid is C=CCC1(C(=O)O)CCN(CC)CC1.
What is the InChIKey of 1-ethyl-4-prop-2-enylpiperidine-4-carboxylic acid?
The InChIKey is SJLROZLEKPMELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-5-11(10(13)14)6-8-12(4-2)9-7-11/h3H,1,4-9H2,2H3,(H,13,14).
What are the key properties of 1-ethyl-4-prop-2-enylpiperidine-4-carboxylic acid?
1-ethyl-4-prop-2-enylpiperidine-4-carboxylic acid has a molecular weight of 197.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-prop-2-enylpiperidine-4-carboxylic acid is sourced from PubChem (CID 163236372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).