2-(piperazin-1-ylmethyl)benzoic acid dihydrochloride

2-(piperazin-1-ylmethyl)benzoic acid dihydrochloride

Formula: C12H18Cl2N2O2

SMILES: Cl.Cl.OC(=O)C1=CC=CC=C1CN1CCNCC1

IUPAC: 2-[(piperazin-1-yl)methyl]benzoic acid dihydrochloride

InChI: InChI=1S/C12H16N2O2.2ClH/c15-12(16)11-4-2-1-3-10(11)9-14-7-5-13-6-8-14;;/h1-4,13H,5-9H2,(H,15,16);2*1H

Composition: C (49.16%), H (6.19%), Cl (24.18%), N (9.55%), O (10.91%)

Molar Mass: 293.19

Atom Count: 36

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	292.0745332
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	HYGZDYWSYWXJJM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.61
Topological Polar Surface Area	52.57
Polarizability	24.18
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C12H18Cl2N2O2		Quote Only