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102071-87-4 | 1-Propanone, 3-[[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino]-1-(2-methyl-1-piperidinyl)-
CAS No: 102071-87-4 Catalog No: AG0006I2 MDL No:
Product Description
Catalog Number:
AG0006I2
Chemical Name:
1-Propanone, 3-[[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino]-1-(2-methyl-1-piperidinyl)-
CAS Number:
102071-87-4
Molecular Formula:
C18H26N2O3
Molecular Weight:
318.4106
IUPAC Name:
3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-1-(2-methylpiperidin-1-yl)propan-1-one
InChI:
InChI=1S/C18H26N2O3/c1-14-6-4-5-11-20(14)18(21)9-10-19-12-15-13-22-16-7-2-3-8-17(16)23-15/h2-3,7-8,14-15,19H,4-6,9-13H2,1H3
InChI Key:
ZHNLBPRYSWJOSV-UHFFFAOYSA-N
SMILES:
CC1CCCCN1C(=O)CCNCC1COc2c(O1)cccc2
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.194g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.417g/mol
Monoisotopic Mass:
318.194g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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