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101997-49-3 | Ethanone, 2-[[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino]-1-(1-piperidinyl)-
CAS No: 101997-49-3 Catalog No: AG00067J MDL No:
Product Description
Catalog Number:
AG00067J
Chemical Name:
Ethanone, 2-[[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino]-1-(1-piperidinyl)-
CAS Number:
101997-49-3
Molecular Formula:
C16H22N2O3
Molecular Weight:
290.3575
IUPAC Name:
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-1-piperidin-1-ylethanone
InChI:
InChI=1S/C16H22N2O3/c19-16(18-8-4-1-5-9-18)11-17-10-13-12-20-14-6-2-3-7-15(14)21-13/h2-3,6-7,13,17H,1,4-5,8-12H2
InChI Key:
ZCQWYDVMZIKPAE-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCC1)CNCC1COc2c(O1)cccc2
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.163g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.363g/mol
Monoisotopic Mass:
290.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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