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1179651-20-7 | 3-amino-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propan-1-one
CAS No: 1179651-20-7 Catalog No: AG01A9YE MDL No:MFCD12882849
Product Description
Catalog Number:
AG01A9YE
Chemical Name:
3-amino-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propan-1-one
CAS Number:
1179651-20-7
Molecular Formula:
C13H20N4O
Molecular Weight:
248.3241
MDL Number:
MFCD12882849
IUPAC Name:
3-amino-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propan-1-one
InChI:
InChI=1S/C13H20N4O/c14-4-1-13(18)17-9-7-16(8-10-17)11-12-2-5-15-6-3-12/h2-3,5-6H,1,4,7-11,14H2
InChI Key:
PXKSENNMLIDKKV-UHFFFAOYSA-N
SMILES:
NCCC(=O)N1CCN(CC1)Cc1ccncc1
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.164g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.33g/mol
Monoisotopic Mass:
248.164g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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