1-(2H-1,3-benzodioxole-5-carbonyl)piperazine hydrochloride

1-(2H-1,3-benzodioxole-5-carbonyl)piperazine hydrochloride

Formula: C12H15ClN2O3

SMILES: Cl.O=C(N1CCNCC1)C1=CC2=C(OCO2)C=C1

IUPAC: 1-(2H-1,3-benzodioxole-5-carbonyl)piperazine hydrochloride

InChI: InChI=1S/C12H14N2O3.ClH/c15-12(14-5-3-13-4-6-14)9-1-2-10-11(7-9)17-8-16-10;/h1-2,7,13H,3-6,8H2;1H

Composition: C (53.24%), H (5.59%), Cl (13.10%), N (10.35%), O (17.73%)

Molar Mass: 270.71

Atom Count: 33

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	270.0771201
Formal Charge	0
FSP3	0.42
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	JDEOLWHTDQBEDO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.45
Topological Polar Surface Area	50.8
Polarizability	23.81
Ring Count	3
Rotatable Bond Count	1

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C12H15ClN2O3		Quote Only