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1260676-36-5 | [1,4'-Bipiperidine]-3-carboxylic acid, 1'-acetyl-
CAS No: 1260676-36-5 Catalog No: AG000R1L MDL No:
Product Description
Catalog Number:
AG000R1L
Chemical Name:
[1,4'-Bipiperidine]-3-carboxylic acid, 1'-acetyl-
CAS Number:
1260676-36-5
Molecular Formula:
C13H22N2O3
Molecular Weight:
254.3254
IUPAC Name:
1-(1-acetylpiperidin-4-yl)piperidine-3-carboxylic acid
InChI:
InChI=1S/C13H22N2O3/c1-10(16)14-7-4-12(5-8-14)15-6-2-3-11(9-15)13(17)18/h11-12H,2-9H2,1H3,(H,17,18)
InChI Key:
HXHCASQIWDNDKA-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCC(CC1)N1CCCC(C1)C(=O)O
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.163g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.33g/mol
Monoisotopic Mass:
254.163g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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