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839730-49-3 | Cyclohexanol, 2-[4-(4-iodophenyl)-1-piperidinyl]-, (1S,2S)-
CAS No: 839730-49-3 Catalog No: AG004UAI MDL No:
Product Description
Catalog Number:
AG004UAI
Chemical Name:
Cyclohexanol, 2-[4-(4-iodophenyl)-1-piperidinyl]-, (1S,2S)-
CAS Number:
839730-49-3
Molecular Formula:
C17H24INO
Molecular Weight:
385.2830
IUPAC Name:
(1S,2S)-2-[4-(4-iodophenyl)piperidin-1-yl]cyclohexan-1-ol
InChI:
InChI=1S/C17H24INO/c18-15-7-5-13(6-8-15)14-9-11-19(12-10-14)16-3-1-2-4-17(16)20/h5-8,14,16-17,20H,1-4,9-12H2/t16-,17-/m0/s1
InChI Key:
WSOZRBGOELEJLK-IRXDYDNUSA-N
SMILES:
O[C@H]1CCCC[C@@H]1N1CCC(CC1)c1ccc(cc1)I
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
385.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
385.289g/mol
Monoisotopic Mass:
385.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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