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112069-89-3 | Piperidine, 3-(1-iodoethylidene)-1-[(4-methoxyphenyl)methyl]-, (E)-
CAS No: 112069-89-3 Catalog No: AG007UQE MDL No:
Product Description
Catalog Number:
AG007UQE
Chemical Name:
Piperidine, 3-(1-iodoethylidene)-1-[(4-methoxyphenyl)methyl]-, (E)-
CAS Number:
112069-89-3
Molecular Formula:
C15H20INO
Molecular Weight:
357.2299
IUPAC Name:
3-(1-iodoethylidene)-1-[(4-methoxyphenyl)methyl]piperidine
InChI:
InChI=1S/C15H20INO/c1-12(16)14-4-3-9-17(11-14)10-13-5-7-15(18-2)8-6-13/h5-8H,3-4,9-11H2,1-2H3
InChI Key:
HCQFNDDXZQOCMM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CN1CCC/C(=C(\I)/C)/C1
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.235g/mol
Monoisotopic Mass:
357.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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