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101602-77-1 | 3-Piperidinecarboxylic acid, 1-(1H-indol-3-ylmethyl)-, ethyl ester
CAS No: 101602-77-1 Catalog No: AG0004YO MDL No:
Product Description
Catalog Number:
AG0004YO
Chemical Name:
3-Piperidinecarboxylic acid, 1-(1H-indol-3-ylmethyl)-, ethyl ester
CAS Number:
101602-77-1
Molecular Formula:
C17H22N2O2
Molecular Weight:
286.3688
IUPAC Name:
ethyl 1-(1H-indol-3-ylmethyl)piperidine-3-carboxylate
InChI:
InChI=1S/C17H22N2O2/c1-2-21-17(20)13-6-5-9-19(11-13)12-14-10-18-16-8-4-3-7-15(14)16/h3-4,7-8,10,13,18H,2,5-6,9,11-12H2,1H3
InChI Key:
KQXOXXXVFSNDET-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCCN(C1)Cc1c[nH]c2c1cccc2
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.168g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.375g/mol
Monoisotopic Mass:
286.168g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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