Home Carboxys 1'-Boc-[1,4']bipiperidinyl-3-carboxylic acid

1'-Boc-[1,4']bipiperidinyl-3-carboxylic acid

CAS No.:
1160248-52-1
Catalog Number:
AG0092RD
Molecular Formula:
C16H28N2O4
Molecular Weight:
312.4045
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Product Description
Catalog Number:
AG0092RD
Chemical Name:
1'-Boc-[1,4']bipiperidinyl-3-carboxylic acid
CAS Number:
1160248-52-1
Molecular Formula:
C16H28N2O4
Molecular Weight:
312.4045
MDL Number:
MFCD06657459
IUPAC Name:
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperidine-3-carboxylic acid
InChI:
InChI=1S/C16H28N2O4/c1-16(2,3)22-15(21)17-9-6-13(7-10-17)18-8-4-5-12(11-18)14(19)20/h12-13H,4-11H2,1-3H3,(H,19,20)
InChI Key:
PBDGHRIEAPWNQU-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN(C1)C1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
411  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.205g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
312.41g/mol
Monoisotopic Mass:
312.205g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Properties