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1227269-43-3 | Benzonitrile, 2-[2-(4-amino-1-piperidinyl)-2-phenylethoxy]-
CAS No: 1227269-43-3 Catalog No: AG000J5Z MDL No:MFCD16875947
Product Description
Catalog Number:
AG000J5Z
Chemical Name:
Benzonitrile, 2-[2-(4-amino-1-piperidinyl)-2-phenylethoxy]-
CAS Number:
1227269-43-3
Molecular Formula:
C20H23N3O
Molecular Weight:
321.4161
MDL Number:
MFCD16875947
IUPAC Name:
2-[2-(4-aminopiperidin-1-yl)-2-phenylethoxy]benzonitrile
InChI:
InChI=1S/C20H23N3O/c21-14-17-8-4-5-9-20(17)24-15-19(16-6-2-1-3-7-16)23-12-10-18(22)11-13-23/h1-9,18-19H,10-13,15,22H2
InChI Key:
SQRNIOYQANFIKE-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1OCC(c1ccccc1)N1CCC(CC1)N
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.184g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.424g/mol
Monoisotopic Mass:
321.184g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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