200,000+ products from a single source!
sales@angenechem.com
89707-55-1 | Isoquinoline, 6-methyl-1-phenyl-3-(3-piperidinyloxy)-
CAS No: 89707-55-1 Catalog No: AG0042LD MDL No:
Product Description
Catalog Number:
AG0042LD
Chemical Name:
Isoquinoline, 6-methyl-1-phenyl-3-(3-piperidinyloxy)-
CAS Number:
89707-55-1
Molecular Formula:
C21H22N2O
Molecular Weight:
318.4122
IUPAC Name:
6-methyl-1-phenyl-3-piperidin-3-yloxyisoquinoline
InChI:
InChI=1S/C21H22N2O/c1-15-9-10-19-17(12-15)13-20(24-18-8-5-11-22-14-18)23-21(19)16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13,18,22H,5,8,11,14H2,1H3
InChI Key:
HPFINIDFIQCDFS-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)cc(nc2c1ccccc1)OC1CCCNC1
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.173g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.42g/mol
Monoisotopic Mass:
318.173g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.