tert-butyl 3-(piperazin-1-yl)pyrrolidine-1-carboxylate dihydrochloride

tert-butyl 3-(piperazin-1-yl)pyrrolidine-1-carboxylate dihydrochloride

CAS: 1332530-47-8

Formula: C13H27Cl2N3O2

SMILES: Cl.Cl.CC(C)(C)OC(=O)N1CCC(C1)N1CCNCC1

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

InChI: InChI=1/C13H25N3O2.2ClH/c1-13(2,3)18-12(17)16-7-4-11(10-16)15-8-5-14-6-9-15;;/h11,14H,4-10H2,1-3H3;2*1H

Composition: C (47.56%), H (8.29%), Cl (21.60%), N (12.80%), O (9.75%)

Molar Mass: 328.28

Atom Count: 47

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	327.1480325
Formal Charge	0
FSP3	0.92
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	NSEJSVDQFNSBTO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.03
Topological Polar Surface Area	44.81
Polarizability	28.17
Ring Count	2
Rotatable Bond Count	3

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