3-(piperazin-1-yl)-1-azabicyclo[2.2.2]octane hydrate trihydrochloride

3-(piperazin-1-yl)-1-azabicyclo[2.2.2]octane hydrate trihydrochloride

CAS: 1301739-70-7

Formula: C11H26Cl3N3O

SMILES: O.Cl.Cl.Cl.C1CN(CCN1)C1CN2CCC1CC2

IUPAC: 3-(piperazin-1-yl)-1-azabicyclo[2.2.2]octane hydrate trihydrochloride

InChI: InChI=1/C11H21N3.3ClH.H2O/c1-5-13-6-2-10(1)11(9-13)14-7-3-12-4-8-14;;;;/h10-12H,1-9H2;3*1H;1H2

Composition: C (40.94%), H (8.12%), Cl (32.96%), N (13.02%), O (4.96%)

Molar Mass: 322.7

Atom Count: 44

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	321.1141456
Formal Charge	0
FSP3	1
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	UZLAQICMXOFABF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.71
Topological Polar Surface Area	18.51
Polarizability	23.4
Ring Count	3
Rotatable Bond Count	1

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