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102071-89-6 | 1-Propanone, 3-[[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino]-1-(1-piperidinyl)-
CAS No: 102071-89-6 Catalog No: AG0006I0 MDL No:
Product Description
Catalog Number:
AG0006I0
Chemical Name:
1-Propanone, 3-[[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino]-1-(1-piperidinyl)-
CAS Number:
102071-89-6
Molecular Formula:
C17H24N2O3
Molecular Weight:
304.3841
IUPAC Name:
3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-1-piperidin-1-ylpropan-1-one
InChI:
InChI=1S/C17H24N2O3/c20-17(19-10-4-1-5-11-19)8-9-18-12-14-13-21-15-6-2-3-7-16(15)22-14/h2-3,6-7,14,18H,1,4-5,8-13H2
InChI Key:
PGCODBUYWMENSY-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCC1)CCNCC1COc2c(O1)cccc2
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.179g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.39g/mol
Monoisotopic Mass:
304.179g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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