methyl 2-(piperazin-1-yl)benzoate hydrochloride

methyl 2-(piperazin-1-yl)benzoate hydrochloride

Formula: C12H17ClN2O2

SMILES: Cl.COC(=O)C1=CC=CC=C1N1CCNCC1

IUPAC: methyl 2-(piperazin-1-yl)benzoate hydrochloride

InChI: InChI=1S/C12H16N2O2.ClH/c1-16-12(15)10-4-2-3-5-11(10)14-8-6-13-7-9-14;/h2-5,13H,6-9H2,1H3;1H

Composition: C (56.14%), H (6.67%), Cl (13.81%), N (10.91%), O (12.46%)

Molar Mass: 256.73

Atom Count: 34

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	256.0978555
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	JLEQQBYYTSFLNJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.27
Topological Polar Surface Area	41.57
Polarizability	24.05
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C12H17ClN2O2		Quote Only