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1254115-22-4 | 1-Piperazinecarboxylic acid, 4-(3-oxetanyl)-, phenylmethyl ester
CAS No: 1254115-22-4 Catalog No: AG000NNJ MDL No:MFCD28155142
Product Description
Catalog Number:
AG000NNJ
Chemical Name:
1-Piperazinecarboxylic acid, 4-(3-oxetanyl)-, phenylmethyl ester
CAS Number:
1254115-22-4
Molecular Formula:
C15H20N2O3
Molecular Weight:
276.3309
MDL Number:
MFCD28155142
IUPAC Name:
benzyl 4-(oxetan-3-yl)piperazine-1-carboxylate
InChI:
InChI=1S/C15H20N2O3/c18-15(20-10-13-4-2-1-3-5-13)17-8-6-16(7-9-17)14-11-19-12-14/h1-5,14H,6-12H2
InChI Key:
VJDWVTGQLRWGKY-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)C1COC1)OCc1ccccc1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.147g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.336g/mol
Monoisotopic Mass:
276.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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