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205059-24-1 | 1-Piperazinecarboxylic acid, 4-(4-piperidinyl)-, 1,1-dimethylethyl ester
CAS No: 205059-24-1 Catalog No: AG0029U1 MDL No:MFCD04974009
Product Description
Catalog Number:
AG0029U1
Chemical Name:
1-Piperazinecarboxylic acid, 4-(4-piperidinyl)-, 1,1-dimethylethyl ester
CAS Number:
205059-24-1
Molecular Formula:
C14H27N3O2
Molecular Weight:
269.3831
MDL Number:
MFCD04974009
IUPAC Name:
tert-butyl 4-piperidin-4-ylpiperazine-1-carboxylate
InChI:
InChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)17-10-8-16(9-11-17)12-4-6-15-7-5-12/h12,15H,4-11H2,1-3H3
InChI Key:
IMFPSYLOYADSFR-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)C1CCNCC1)OC(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:
269.21g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.389g/mol
Monoisotopic Mass:
269.21g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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