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857284-20-9 | 1-Piperazinecarboxylicacid, 4-[5-(hydroxymethyl)-2-pyridinyl]-, 1,1-dimethylethyl ester
CAS No: 857284-20-9 Catalog No: AG004YLB MDL No:MFCD08060526
Product Description
Catalog Number:
AG004YLB
Chemical Name:
1-Piperazinecarboxylicacid, 4-[5-(hydroxymethyl)-2-pyridinyl]-, 1,1-dimethylethyl ester
CAS Number:
857284-20-9
Molecular Formula:
C15H23N3O3
Molecular Weight:
293.3614
MDL Number:
MFCD08060526
IUPAC Name:
tert-butyl 4-[5-(hydroxymethyl)pyridin-2-yl]piperazine-1-carboxylate
InChI:
InChI=1S/C15H23N3O3/c1-15(2,3)21-14(20)18-8-6-17(7-9-18)13-5-4-12(11-19)10-16-13/h4-5,10,19H,6-9,11H2,1-3H3
InChI Key:
QKCHWJYIPFBVRD-UHFFFAOYSA-N
SMILES:
OCc1ccc(nc1)N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.174g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.367g/mol
Monoisotopic Mass:
293.174g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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