Home Other Building Blocks tert-butyl 2-(piperidin-4-yl)benzoate

tert-butyl 2-(piperidin-4-yl)benzoate

CAS No.:
1803600-82-9
Catalog Number:
AG01AG3Z
Molecular Formula:
C16H23NO2
Molecular Weight:
261.3593
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Product Description
Catalog Number:
AG01AG3Z
Chemical Name:
tert-butyl 2-(piperidin-4-yl)benzoate
CAS Number:
1803600-82-9
Molecular Formula:
C16H23NO2
Molecular Weight:
261.3593
MDL Number:
MFCD27959375
IUPAC Name:
tert-butyl 2-piperidin-4-ylbenzoate
InChI:
InChI=1S/C16H23NO2/c1-16(2,3)19-15(18)14-7-5-4-6-13(14)12-8-10-17-11-9-12/h4-7,12,17H,8-11H2,1-3H3
InChI Key:
MSIVIXJYKQQBCA-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1C1CCNCC1)OC(C)(C)C
Properties
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.173g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
261.365g/mol
Monoisotopic Mass:
261.173g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties