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115482-69-4 | Methanone, [4-(3-hydroxypropyl)-1-piperidinyl]phenyl-
CAS No: 115482-69-4 Catalog No: AG000G1T MDL No:
Product Description
Catalog Number:
AG000G1T
Chemical Name:
Methanone, [4-(3-hydroxypropyl)-1-piperidinyl]phenyl-
CAS Number:
115482-69-4
Molecular Formula:
C15H21NO2
Molecular Weight:
247.3327
IUPAC Name:
[4-(3-hydroxypropyl)piperidin-1-yl]-phenylmethanone
InChI:
InChI=1S/C15H21NO2/c17-12-4-5-13-8-10-16(11-9-13)15(18)14-6-2-1-3-7-14/h1-3,6-7,13,17H,4-5,8-12H2
InChI Key:
OKYVFTBOZSPEHL-UHFFFAOYSA-N
SMILES:
OCCCC1CCN(CC1)C(=O)c1ccccc1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.338g/mol
Monoisotopic Mass:
247.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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