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380664-77-7 | [2-(1H-Indol-3-yl)-ethyl]-piperidin-4-yl-amine
CAS No: 380664-77-7 Catalog No: AG01FA6E MDL No:
Product Description
Catalog Number:
AG01FA6E
Chemical Name:
[2-(1H-Indol-3-yl)-ethyl]-piperidin-4-yl-amine
CAS Number:
380664-77-7
Molecular Formula:
C15H21N3
Molecular Weight:
243.3473
IUPAC Name:
N-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine
InChI:
InChI=1S/C15H21N3/c1-2-4-15-14(3-1)12(11-18-15)5-10-17-13-6-8-16-9-7-13/h1-4,11,13,16-18H,5-10H2
InChI Key:
YQVNQTZYBJFIKT-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)NCCc1c[nH]c2c1cccc2
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.174g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
243.354g/mol
Monoisotopic Mass:
243.174g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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