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149897-41-6

149897-41-6 | 1-Piperidinecarboxylic acid, 4-(iodomethyl)-, phenylmethyl ester

CAS No: 149897-41-6 Catalog No: AG001M3S MDL No:

Product Description

Catalog Number:
AG001M3S
Chemical Name:
1-Piperidinecarboxylic acid, 4-(iodomethyl)-, phenylmethyl ester
CAS Number:
149897-41-6
Molecular Formula:
C14H18INO2
Molecular Weight:
359.2027
IUPAC Name:
benzyl 4-(iodomethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C14H18INO2/c15-10-12-6-8-16(9-7-12)14(17)18-11-13-4-2-1-3-5-13/h1-5,12H,6-11H2
InChI Key:
LOWFFKJGPLDVQR-UHFFFAOYSA-N
SMILES:
ICC1CCN(CC1)C(=O)OCc1ccccc1

Properties

Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.038g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.207g/mol
Monoisotopic Mass:
359.038g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

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