3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoic acid dihydrochloride

3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoic acid dihydrochloride

CAS: 1185294-11-4

Formula: C14H22Cl2N2O3

SMILES: Cl.Cl.COC1=C(C=CC=C1)N1CCN(CCC(O)=O)CC1

IUPAC: 3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoic acid dihydrochloride

InChI: InChI=1S/C14H20N2O3.2ClH/c1-19-13-5-3-2-4-12(13)16-10-8-15(9-11-16)7-6-14(17)18;;/h2-5H,6-11H2,1H3,(H,17,18);2*1H

Composition: C (49.86%), H (6.58%), Cl (21.02%), N (8.31%), O (14.23%)

Molar Mass: 337.24

Atom Count: 43

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	336.100748
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	FOHTUASVFUPVCK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.78
Topological Polar Surface Area	53.01
Polarizability	28.2
Ring Count	2
Rotatable Bond Count	5

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