1-[(3,4-dimethoxyphenyl)methyl]piperazine dihydrochloride

1-[(3,4-dimethoxyphenyl)methyl]piperazine dihydrochloride

CAS: 93088-18-7

Formula: C13H22Cl2N2O2

SMILES: Cl.Cl.COC1=C(OC)C=C(CN2CCNCC2)C=C1

IUPAC: 1-[(3,4-dimethoxyphenyl)methyl]piperazine dihydrochloride

InChI: InChI=1S/C13H20N2O2.2ClH/c1-16-12-4-3-11(9-13(12)17-2)10-15-7-5-14-6-8-15;;/h3-4,9,14H,5-8,10H2,1-2H3;2*1H

Composition: C (50.49%), H (7.17%), Cl (22.93%), N (9.06%), O (10.35%)

Molar Mass: 309.23

Atom Count: 41

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	308.1058334
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	RQXHJAIRVKNDPX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.28
Topological Polar Surface Area	33.73
Polarizability	26.89
Ring Count	2
Rotatable Bond Count	4

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95%	<2 Days	93088-18-7		$404.27$404.27