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164396-67-2 | Methanone, phenyl[3-[[7-(1-piperidinyl)heptyl]oxy]phenyl]-
CAS No: 164396-67-2 Catalog No: AG001UUV MDL No:
Product Description
Catalog Number:
AG001UUV
Chemical Name:
Methanone, phenyl[3-[[7-(1-piperidinyl)heptyl]oxy]phenyl]-
CAS Number:
164396-67-2
Molecular Formula:
C25H33NO2
Molecular Weight:
379.5350
IUPAC Name:
phenyl-[3-(7-piperidin-1-ylheptoxy)phenyl]methanone
InChI:
InChI=1S/C25H33NO2/c27-25(22-13-6-4-7-14-22)23-15-12-16-24(21-23)28-20-11-3-1-2-8-17-26-18-9-5-10-19-26/h4,6-7,12-16,21H,1-3,5,8-11,17-20H2
InChI Key:
PXIXUEJSELHHQR-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)c1cccc(c1)OCCCCCCCN1CCCCC1
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.251g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
379.544g/mol
Monoisotopic Mass:
379.251g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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