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885270-98-4 | 1-Butanone,1-[4-(4-aminophenyl)-1-piperidinyl]-3,3-dimethyl-
CAS No: 885270-98-4 Catalog No: AG00473X MDL No:
Product Description
Catalog Number:
AG00473X
Chemical Name:
1-Butanone,1-[4-(4-aminophenyl)-1-piperidinyl]-3,3-dimethyl-
CAS Number:
885270-98-4
Molecular Formula:
C17H26N2O
Molecular Weight:
274.4011
IUPAC Name:
1-[4-(4-aminophenyl)piperidin-1-yl]-3,3-dimethylbutan-1-one
InChI:
InChI=1S/C17H26N2O/c1-17(2,3)12-16(20)19-10-8-14(9-11-19)13-4-6-15(18)7-5-13/h4-7,14H,8-12,18H2,1-3H3
InChI Key:
NNQFSATZRAJTGG-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)c1ccc(cc1)N)CC(C)(C)C
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.205g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.408g/mol
Monoisotopic Mass:
274.205g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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