1-(3-Indolylmethyl)nipecotic acid ethyl ester

Modify Date: 2025-09-18 12:27:51

1-(3-Indolylmethyl)nipecotic acid ethyl ester Structure
1-(3-Indolylmethyl)nipecotic acid ethyl ester structure
Common Name 1-(3-Indolylmethyl)nipecotic acid ethyl ester
CAS Number 101602-77-1 Molecular Weight 286.36900
Density 1.181g/cm3 Boiling Point 430.3ºC at 760mmHg
Molecular Formula C17H22N2O2 Melting Point N/A
MSDS N/A Flash Point 214ºC

 Names

Name ethyl 1-(1H-indol-3-ylmethyl)piperidine-3-carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.181g/cm3
Boiling Point 430.3ºC at 760mmHg
Molecular Formula C17H22N2O2
Molecular Weight 286.36900
Flash Point 214ºC
Exact Mass 286.16800
PSA 45.33000
LogP 2.88090
Vapour Pressure 1.31E-07mmHg at 25°C
Index of Refraction 1.606
InChIKey KQXOXXXVFSNDET-UHFFFAOYSA-N
SMILES CCOC(=O)C1CCCN(Cc2c[nH]c3ccccc23)C1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QU1986000
CHEMICAL NAME :
Nipecotic acid, 1-(3-indolylmethyl)-, ethyl ester
CAS REGISTRY NUMBER :
101602-77-1
BEILSTEIN REFERENCE NO. :
0291764
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H22-N2-O2
MOLECULAR WEIGHT :
286.41

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
54 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - excitement
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 105,130,1952

 Synonyms

1-indol-3-ylmethyl-piperidine-3-carboxylic acid ethyl ester
1-Indol-3-ylmethyl-piperidin-3-carbonsaeure-aethylester
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