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834155-05-4 | 4-Piperidinone, 3-butyl-1-(2-phenylethyl)-
CAS No: 834155-05-4 Catalog No: AG004VJZ MDL No:
Product Description
Catalog Number:
AG004VJZ
Chemical Name:
4-Piperidinone, 3-butyl-1-(2-phenylethyl)-
CAS Number:
834155-05-4
Molecular Formula:
C17H25NO
Molecular Weight:
259.3865
IUPAC Name:
3-butyl-1-(2-phenylethyl)piperidin-4-one
InChI:
InChI=1S/C17H25NO/c1-2-3-9-16-14-18(13-11-17(16)19)12-10-15-7-5-4-6-8-15/h4-8,16H,2-3,9-14H2,1H3
InChI Key:
WPURZZDWDZTFQS-UHFFFAOYSA-N
SMILES:
CCCCC1CN(CCC1=O)CCc1ccccc1
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.194g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.393g/mol
Monoisotopic Mass:
259.194g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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