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tert-butyl N-{2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl}carbamate

tert-butyl N-{2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl}carbamate

CAS: 946522-97-0

Formula: C18H27N3O3

SMILES: CC1=CC=C(C=C1)N1CCN(CC1)C(=O)CNC(=O)OC(C)(C)C

IUPAC: tert-butyl N-{2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl}carbamate

InChI: InChI=1S/C18H27N3O3/c1-14-5-7-15(8-6-14)20-9-11-21(12-10-20)16(22)13-19-17(23)24-18(2,3)4/h5-8H,9-13H2,1-4H3,(H,19,23)

Composition: C (64.84%), H (8.16%), N (12.60%), O (14.39%)

Molar Mass: 333.432

Atom Count: 51

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 333.205241741
Formal Charge 0
FSP3 0.56
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey OYFCSYKGKIHHLE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 94.08
Topological Polar Surface Area 61.88
Polarizability 35.88
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 946522-97-0 $51.35-$86.31$51.35$63.37$86.31
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