Basic information
- CAS
101602-77-1- Standard SMILES
CCOC(=O)C1CCCN(Cc2c[nH]c3ccccc23)C1- InChIKey
KQXOXXXVFSNDET-UHFFFAOYSA-N- Molecular formula
- C17H22N2O2
- Average molar mass
- 286.37 g/mol
- Monoisotopic mass
- 286.16812795
Names & identifiers
- Preferred name
- Nipecotic acid, 1-(3-indolylmethyl)-, ethyl ester
- IUPAC
- ethyl 1-(1H-indol-3-ylmethyl)piperidine-3-carboxylate
- English name
- 1-(3-Indolylmethyl)nipecotic acid ethyl ester
- Molecular formula
- C17H22N2O2
- Molecular weight
- 286.37
Names & synonyms
101602-77-11-(3-Indolylmethyl)nipecotic acid ethyl esterNIPECOTIC ACID, 1-(3-INDOLYLMETHYL)-, ETHYL ESTERBRN 02917644-22-00-04311 (Beilstein Handbook Reference)RefChem:365683Ethyl 1-((1H-indol-3-yl)methyl)piperidine-3-carboxylateEthyl 1-[(1H-indol-3-yl)methyl]piperidine-3-carboxylateethyl 1-(1H-indol-3-ylmethyl)piperidine-3-carboxylateOprea1_237583Oprea1_596069DTXSID60906392
Show more names
KQXOXXXVFSNDET-UHFFFAOYSA-N3-Piperidinecarboxylic acid, 1-(1H-indol-3-ylmethyl)-, ethyl ester
AB00077764-01AG-690/11763357SR-01000202055SR-01000202055-1ethyl 1-(1H-indol-3-ylmethyl)-3-piperidinecarboxylate
Database identifiers
- CAS
101602-77-1- PubChem CID
- 58565
- DTXSID
DTXSID60906392
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- Melting point
- 87 · 87-89 °C
- Boiling point
- 430.3 · 430.3±40.0 °C(Predicted)
- Density
- 1.181 · 1.181±0.06 g/cm3(Predicted)
- pka
- 17.51 · 17.51±0.30(Predicted)
Chemistry & industry
Suppliers1 total
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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