tert-butyl 3-(piperazin-1-yl)azetidine-1-carboxylate

tert-butyl 3-(piperazin-1-yl)azetidine-1-carboxylate

CAS: 178311-48-3

Formula: C12H23N3O2

SMILES: CC(C)(C)OC(=O)N1CC(C1)N1CCNCC1

IUPAC: tert-butyl 3-(piperazin-1-yl)azetidine-1-carboxylate

InChI: InChI=1S/C12H23N3O2/c1-12(2,3)17-11(16)15-8-10(9-15)14-6-4-13-5-7-14/h10,13H,4-9H2,1-3H3

Composition: C (59.72%), H (9.61%), N (17.41%), O (13.26%)

Molar Mass: 241.335

Atom Count: 40

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	241.179026993
Formal Charge	0
FSP3	0.92
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KEQBTRKQDYXHTO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.16
Topological Polar Surface Area	44.81
Polarizability	26.34
Ring Count	2
Rotatable Bond Count	3

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