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882847-21-4 | 1,4-Piperidinedicarboxylicacid, 4-cyclohexyl-, 1-(9H-fluoren-9-ylmethyl) ester
CAS No: 882847-21-4 Catalog No: AG0049IH MDL No:MFCD08457836
Product Description
Catalog Number:
AG0049IH
Chemical Name:
1,4-Piperidinedicarboxylicacid, 4-cyclohexyl-, 1-(9H-fluoren-9-ylmethyl) ester
CAS Number:
882847-21-4
Molecular Formula:
C27H31NO4
Molecular Weight:
433.5393
MDL Number:
MFCD08457836
IUPAC Name:
4-cyclohexyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
InChI:
InChI=1S/C27H31NO4/c29-25(30)27(19-8-2-1-3-9-19)14-16-28(17-15-27)26(31)32-18-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h4-7,10-13,19,24H,1-3,8-9,14-18H2,(H,29,30)
InChI Key:
PPMKHBWXFHVDEU-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)(C(=O)O)C1CCCCC1)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
657
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.225g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
433.548g/mol
Monoisotopic Mass:
433.225g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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