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201810-59-5 | [1,4'-Bipiperidine]-1',4-dicarboxylic acid, 1'-(1,1-dimethylethyl) ester
CAS No: 201810-59-5 Catalog No: AG0027UY MDL No:MFCD06408960
Product Description
Catalog Number:
AG0027UY
Chemical Name:
[1,4'-Bipiperidine]-1',4-dicarboxylic acid, 1'-(1,1-dimethylethyl) ester
CAS Number:
201810-59-5
Molecular Formula:
C16H27N2O4-
Molecular Weight:
311.3966
MDL Number:
MFCD06408960
IUPAC Name:
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperidine-4-carboxylic acid
InChI:
InChI=1S/C16H28N2O4/c1-16(2,3)22-15(21)18-10-6-13(7-11-18)17-8-4-12(5-9-17)14(19)20/h12-13H,4-11H2,1-3H3,(H,19,20)
InChI Key:
XMPDUWSSDFAKRT-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)N1CCC(CC1)C(=O)[O-])OC(C)(C)C
Properties
Complexity:
403
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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