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179234-89-0 | 3-(1-benzylpiperidin-4-yl)-1H-indole-B28233
CAS No: 179234-89-0 Catalog No: AG019F1D MDL No:MFCD11840337
Product Description
Catalog Number:
AG019F1D
Chemical Name:
3-(1-benzylpiperidin-4-yl)-1H-indole-B28233
CAS Number:
179234-89-0
Molecular Formula:
C20H22N2
Molecular Weight:
290.4021
MDL Number:
MFCD11840337
IUPAC Name:
3-(1-benzylpiperidin-4-yl)-1H-indole
InChI:
InChI=1S/C20H22N2/c1-2-6-16(7-3-1)15-22-12-10-17(11-13-22)19-14-21-20-9-5-4-8-18(19)20/h1-9,14,17,21H,10-13,15H2
InChI Key:
JXRNDNNHGLPJNC-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1CCC(CC1)c1c[nH]c2c1cccc2
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.178g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.41g/mol
Monoisotopic Mass:
290.178g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
19A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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