200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 120013-57-2
120013-57-2 | 1H-Inden-1-one, 2,3-dihydro-5-hydroxy-6-methoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-
CAS No: 120013-57-2 Catalog No: AG000Q2N MDL No:
Product Description
Catalog Number:
AG000Q2N
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-5-hydroxy-6-methoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-
CAS Number:
120013-57-2
Molecular Formula:
C23H27NO3
Molecular Weight:
365.4654
IUPAC Name:
2-[(1-benzylpiperidin-4-yl)methyl]-5-hydroxy-6-methoxy-2,3-dihydroinden-1-one
InChI:
InChI=1S/C23H27NO3/c1-27-22-14-20-18(13-21(22)25)12-19(23(20)26)11-16-7-9-24(10-8-16)15-17-5-3-2-4-6-17/h2-6,13-14,16,19,25H,7-12,15H2,1H3
InChI Key:
DSMISVLYMKJMLP-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1O)CC(C2=O)CC1CCN(CC1)Cc1ccccc1
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.199g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
365.473g/mol
Monoisotopic Mass:
365.199g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.