1-(piperazin-1-yl)-3-[2-(prop-2-en-1-yl)phenoxy]propan-2-ol dihydrochloride

1-(piperazin-1-yl)-3-[2-(prop-2-en-1-yl)phenoxy]propan-2-ol dihydrochloride

CAS: 1185304-87-3

Formula: C16H26Cl2N2O2

SMILES: Cl.Cl.OC(COC1=C(CC=C)C=CC=C1)CN1CCNCC1

IUPAC: 1-(piperazin-1-yl)-3-[2-(prop-2-en-1-yl)phenoxy]propan-2-ol dihydrochloride

InChI: InChI=1/C16H24N2O2.2ClH/c1-2-5-14-6-3-4-7-16(14)20-13-15(19)12-18-10-8-17-9-11-18;;/h2-4,6-7,15,17,19H,1,5,8-13H2;2*1H

Composition: C (55.02%), H (7.50%), Cl (20.30%), N (8.02%), O (9.16%)

Molar Mass: 349.3

Atom Count: 48

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	348.1371335
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	ARTYZUFMODLDLY-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.55
Topological Polar Surface Area	44.73
Polarizability	32.13
Ring Count	2
Rotatable Bond Count	7

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