tert-butyl 4-(1-hydroxy-3-oxobut-1-en-1-yl)piperidine-1-carboxylate

tert-butyl 4-(1-hydroxy-3-oxobut-1-en-1-yl)piperidine-1-carboxylate

CAS: 419571-68-9

Formula: C14H23NO4

SMILES: CC(=O)C=C(O)C1CCN(CC1)C(=O)OC(C)(C)C

IUPAC: tert-butyl 4-(1-hydroxy-3-oxobut-1-en-1-yl)piperidine-1-carboxylate

InChI: InChI=1S/C14H23NO4/c1-10(16)9-12(17)11-5-7-15(8-6-11)13(18)19-14(2,3)4/h9,11,17H,5-8H2,1-4H3

Composition: C (62.43%), H (8.61%), N (5.20%), O (23.76%)

Molar Mass: 269.341

Atom Count: 42

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	269.162708225
Formal Charge	0
FSP3	0.71
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ZGZGXPXUBVNNAL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.86
Topological Polar Surface Area	66.84
Polarizability	28.17
Ring Count	1
Rotatable Bond Count	4

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