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

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

CAS: 539822-98-5

Formula: C12H25N3O2

SMILES: CNCCN1CCN(CC1)C(=O)OC(C)(C)C

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

InChI: InChI=1S/C12H25N3O2/c1-12(2,3)17-11(16)15-9-7-14(8-10-15)6-5-13-4/h13H,5-10H2,1-4H3

Composition: C (59.23%), H (10.36%), N (17.27%), O (13.15%)

Molar Mass: 243.351

Atom Count: 42

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	243.194677057
Formal Charge	0
FSP3	0.92
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	IRUJRVAXEALDLJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.46
Topological Polar Surface Area	44.81
Polarizability	27.06
Ring Count	1
Rotatable Bond Count	5

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