2-(piperazin-1-yl)propanoic acid dihydrochloride

2-(piperazin-1-yl)propanoic acid dihydrochloride

CAS: 1417347-15-9

Formula: C7H16Cl2N2O2

SMILES: Cl.Cl.CC(N1CCNCC1)C(O)=O

IUPAC: 2-(piperazin-1-yl)propanoic acid dihydrochloride

InChI: InChI=1/C7H14N2O2.2ClH/c1-6(7(10)11)9-4-2-8-3-5-9;;/h6,8H,2-5H2,1H3,(H,10,11);2*1H

Composition: C (36.38%), H (6.98%), Cl (30.68%), N (12.12%), O (13.84%)

Molar Mass: 231.12

Atom Count: 29

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	230.0588832
Formal Charge	0
FSP3	0.86
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	HSBOMMGREWADKV-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.32
Topological Polar Surface Area	52.57
Polarizability	16.48
Ring Count	1
Rotatable Bond Count	2

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