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1-(4-methoxyphenoxy)-3-(piperazin-1-yl)propan-2-ol dihydrochloride

1-(4-methoxyphenoxy)-3-(piperazin-1-yl)propan-2-ol dihydrochloride

CAS: 64966-35-4

Formula: C14H24Cl2N2O3

SMILES: Cl.Cl.COC1=CC=C(OCC(O)CN2CCNCC2)C=C1

IUPAC: 1-(4-methoxyphenoxy)-3-(piperazin-1-yl)propan-2-ol dihydrochloride

InChI: InChI=1/C14H22N2O3.2ClH/c1-18-13-2-4-14(5-3-13)19-11-12(17)10-16-8-6-15-7-9-16;;/h2-5,12,15,17H,6-11H2,1H3;2*1H

Composition: C (49.57%), H (7.13%), Cl (20.90%), N (8.26%), O (14.15%)

Molar Mass: 339.26

Atom Count: 45

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 338.116398
Formal Charge 0
FSP3 0.57
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey ZADUTRKVQJSDQU-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.72
Topological Polar Surface Area 53.96
Polarizability 29.36
Ring Count 2
Rotatable Bond Count 6

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