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Home > Indoles and Oxindole > 1172808-41-1
1172808-41-1 | 3-(piperazine-1-carbonyl)-1H-indole hydrochloride
CAS No: 1172808-41-1 Catalog No: AG019UKT MDL No:MFCD11857864
Product Description
Catalog Number:
AG019UKT
Chemical Name:
3-(piperazine-1-carbonyl)-1H-indole hydrochloride
CAS Number:
1172808-41-1
Molecular Formula:
C13H16ClN3O
Molecular Weight:
265.7386
MDL Number:
MFCD11857864
IUPAC Name:
1H-indol-3-yl(piperazin-1-yl)methanone;hydrochloride
InChI:
InChI=1S/C13H15N3O.ClH/c17-13(16-7-5-14-6-8-16)11-9-15-12-4-2-1-3-10(11)12;/h1-4,9,14-15H,5-8H2;1H
InChI Key:
GLTOKWKGKSGIIF-UHFFFAOYSA-N
SMILES:
O=C(c1c[nH]c2c1cccc2)N1CCNCC1.Cl
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.098g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
265.741g/mol
Monoisotopic Mass:
265.098g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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