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887588-60-5 | 1-Piperidinecarboxylicacid, 2-[[[2-(dimethylamino)ethyl]amino]methyl]-, 1,1-dimethylethyl ester
CAS No: 887588-60-5 Catalog No: AG004DEY MDL No:
Product Description
Catalog Number:
AG004DEY
Chemical Name:
1-Piperidinecarboxylicacid, 2-[[[2-(dimethylamino)ethyl]amino]methyl]-, 1,1-dimethylethyl ester
CAS Number:
887588-60-5
Molecular Formula:
C15H31N3O2
Molecular Weight:
285.4255
IUPAC Name:
tert-butyl 2-[[2-(dimethylamino)ethylamino]methyl]piperidine-1-carboxylate
InChI:
InChI=1S/C15H31N3O2/c1-15(2,3)20-14(19)18-10-7-6-8-13(18)12-16-9-11-17(4)5/h13,16H,6-12H2,1-5H3
InChI Key:
IKALCVDTMSBHNP-UHFFFAOYSA-N
SMILES:
CN(CCNCC1CCCCN1C(=O)OC(C)(C)C)C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.242g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.432g/mol
Monoisotopic Mass:
285.242g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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