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tert-butyl 4-[5-(ethoxycarbonyl)pyridin-2-yl]piperazine-1-carboxylate

tert-butyl 4-[5-(ethoxycarbonyl)pyridin-2-yl]piperazine-1-carboxylate

CAS: 201809-20-3

Formula: C17H25N3O4

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

IUPAC: tert-butyl 4-[5-(ethoxycarbonyl)pyridin-2-yl]piperazine-1-carboxylate

InChI: InChI=1S/C17H25N3O4/c1-5-23-15(21)13-6-7-14(18-12-13)19-8-10-20(11-9-19)16(22)24-17(2,3)4/h6-7,12H,5,8-11H2,1-4H3

Composition: C (60.88%), H (7.51%), N (12.53%), O (19.08%)

Molar Mass: 335.404

Atom Count: 49

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 335.184506297
Formal Charge 0
FSP3 0.59
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey AYCWMHWDFCCHLE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 91.17
Topological Polar Surface Area 71.97
Polarizability 34.62
Ring Count 2
Rotatable Bond Count 6

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