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1289386-27-1 | 1-Piperazinecarboxylic acid, 2-methyl-4-[1-(2-pyridinyl)ethyl]-, 1,1-dimethylethyl ester
CAS No: 1289386-27-1 Catalog No: AG000YMA MDL No:MFCD18837508
Product Description
Catalog Number:
AG000YMA
Chemical Name:
1-Piperazinecarboxylic acid, 2-methyl-4-[1-(2-pyridinyl)ethyl]-, 1,1-dimethylethyl ester
CAS Number:
1289386-27-1
Molecular Formula:
C17H27N3O2
Molecular Weight:
305.4152
MDL Number:
MFCD18837508
IUPAC Name:
tert-butyl 2-methyl-4-(1-pyridin-2-ylethyl)piperazine-1-carboxylate
InChI:
InChI=1S/C17H27N3O2/c1-13-12-19(14(2)15-8-6-7-9-18-15)10-11-20(13)16(21)22-17(3,4)5/h6-9,13-14H,10-12H2,1-5H3
InChI Key:
WGIOAFJQUPMPKY-UHFFFAOYSA-N
SMILES:
CC1CN(CCN1C(=O)OC(C)(C)C)C(c1ccccn1)C
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.21g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.422g/mol
Monoisotopic Mass:
305.21g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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