Home Carboxys Benzyl piperidine-3-carboxylate

Benzyl piperidine-3-carboxylate

CAS No.:
97231-90-8
Catalog Number:
AG00IJX4
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
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Product Description
Catalog Number:
AG00IJX4
Chemical Name:
Benzyl piperidine-3-carboxylate
CAS Number:
97231-90-8
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
MDL Number:
MFCD14611752
IUPAC Name:
benzyl piperidine-3-carboxylate
InChI:
InChI=1S/C13H17NO2/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2
InChI Key:
DMFIILJDODEYHQ-UHFFFAOYSA-N
SMILES:
O=C(C1CCCNC1)OCc1ccccc1
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties