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1171934-71-6 | 1-Piperazin-1-yl-3-(2,3,5-trimethyl-indol-1-yl)-propan-2-ol
CAS No: 1171934-71-6 Catalog No: AG01EQUP MDL No:
Product Description
Catalog Number:
AG01EQUP
Chemical Name:
1-Piperazin-1-yl-3-(2,3,5-trimethyl-indol-1-yl)-propan-2-ol
CAS Number:
1171934-71-6
Molecular Formula:
C18H27N3O
Molecular Weight:
301.4265
IUPAC Name:
1-piperazin-1-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
InChI:
InChI=1S/C18H27N3O/c1-13-4-5-18-17(10-13)14(2)15(3)21(18)12-16(22)11-20-8-6-19-7-9-20/h4-5,10,16,19,22H,6-9,11-12H2,1-3H3
InChI Key:
PUQVMFURDCZGGP-UHFFFAOYSA-N
SMILES:
OC(Cn1c2ccc(cc2c(c1C)C)C)CN1CCNCC1
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.215g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
301.434g/mol
Monoisotopic Mass:
301.215g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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