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918481-33-1 | Quinoline, 2-[[4-(3-phenylpropyl)-1-piperazinyl]methyl]-
CAS No: 918481-33-1 Catalog No: AG006E73 MDL No:
Product Description
Catalog Number:
AG006E73
Chemical Name:
Quinoline, 2-[[4-(3-phenylpropyl)-1-piperazinyl]methyl]-
CAS Number:
918481-33-1
Molecular Formula:
C23H27N3
Molecular Weight:
345.4806
IUPAC Name:
2-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]quinoline
InChI:
InChI=1S/C23H27N3/c1-2-7-20(8-3-1)9-6-14-25-15-17-26(18-16-25)19-22-13-12-21-10-4-5-11-23(21)24-22/h1-5,7-8,10-13H,6,9,14-19H2
InChI Key:
FMNGBCREMLKDPD-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CCCN1CCN(CC1)Cc1ccc2c(n1)cccc2
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.22g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.49g/mol
Monoisotopic Mass:
345.22g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
19.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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