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801228-18-2 | 1-(2,3-Dimethyl-indol-1-yl)-3-piperazin-1-yl-propan-2-ol
CAS No: 801228-18-2 Catalog No: AG01EXGR MDL No:
Product Description
Catalog Number:
AG01EXGR
Chemical Name:
1-(2,3-Dimethyl-indol-1-yl)-3-piperazin-1-yl-propan-2-ol
CAS Number:
801228-18-2
Molecular Formula:
C17H25N3O
Molecular Weight:
287.3999
IUPAC Name:
1-(2,3-dimethylindol-1-yl)-3-piperazin-1-ylpropan-2-ol
InChI:
InChI=1S/C17H25N3O/c1-13-14(2)20(17-6-4-3-5-16(13)17)12-15(21)11-19-9-7-18-8-10-19/h3-6,15,18,21H,7-12H2,1-2H3
InChI Key:
WYHXAZHFQHMALD-UHFFFAOYSA-N
SMILES:
OC(Cn1c2ccccc2c(c1C)C)CN1CCNCC1
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.2g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.407g/mol
Monoisotopic Mass:
287.2g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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