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254115-95-2 | 1-Benzyl-4-(2-iodo-1H-pyrrol-1-yl)piperidine
CAS No: 254115-95-2 Catalog No: AG01EUMA MDL No:
Product Description
Catalog Number:
AG01EUMA
Chemical Name:
1-Benzyl-4-(2-iodo-1H-pyrrol-1-yl)piperidine
CAS Number:
254115-95-2
Molecular Formula:
C16H19IN2
Molecular Weight:
366.2399
IUPAC Name:
1-benzyl-4-(2-iodopyrrol-1-yl)piperidine
InChI:
InChI=1S/C16H19IN2/c17-16-7-4-10-19(16)15-8-11-18(12-9-15)13-14-5-2-1-3-6-14/h1-7,10,15H,8-9,11-13H2
InChI Key:
LZMIVAWAFVXKJL-UHFFFAOYSA-N
SMILES:
Ic1cccn1C1CCN(CC1)Cc1ccccc1
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.059g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.246g/mol
Monoisotopic Mass:
366.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
8.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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