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30701-36-1 | Ethanone, 1-[3-(2-piperidinylmethyl)-1H-indol-1-yl]-
CAS No: 30701-36-1 Catalog No: AG003113 MDL No:
Product Description
Catalog Number:
AG003113
Chemical Name:
Ethanone, 1-[3-(2-piperidinylmethyl)-1H-indol-1-yl]-
CAS Number:
30701-36-1
Molecular Formula:
C16H20N2O
Molecular Weight:
256.3428
IUPAC Name:
1-[3-(piperidin-2-ylmethyl)indol-1-yl]ethanone
InChI:
InChI=1S/C16H20N2O/c1-12(19)18-11-13(10-14-6-4-5-9-17-14)15-7-2-3-8-16(15)18/h2-3,7-8,11,14,17H,4-6,9-10H2,1H3
InChI Key:
ZPNKGJPIWKWVAN-UHFFFAOYSA-N
SMILES:
CC(=O)n1cc(c2c1cccc2)CC1CCCCN1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.158g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.349g/mol
Monoisotopic Mass:
256.158g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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