tert-butyl 4-[2-(hydroxyimino)-2-(4-methoxyphenyl)ethyl]piperazine-1-carboxylate

tert-butyl 4-[2-(hydroxyimino)-2-(4-methoxyphenyl)ethyl]piperazine-1-carboxylate

CAS: 904815-72-1

Formula: C18H27N3O4

SMILES: COC1=CC=C(C=C1)C(CN1CCN(CC1)C(=O)OC(C)(C)C)=NO

IUPAC: tert-butyl 4-[2-(hydroxyimino)-2-(4-methoxyphenyl)ethyl]piperazine-1-carboxylate

InChI: InChI=1S/C18H27N3O4/c1-18(2,3)25-17(22)21-11-9-20(10-12-21)13-16(19-23)14-5-7-15(24-4)8-6-14/h5-8,23H,9-13H2,1-4H3

Composition: C (61.87%), H (7.79%), N (12.03%), O (18.31%)

Molar Mass: 349.431

Atom Count: 52

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	349.200156361
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	WJIZHULBSSWCEO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	95.93
Topological Polar Surface Area	74.6
Polarizability	37.22
Ring Count	2
Rotatable Bond Count	6

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