3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol dihydrochloride

3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol dihydrochloride

CAS: 193611-72-2

Formula: C25H29Cl3N2O

SMILES: Cl.Cl.OC(CN1CCN(CC1)C1=CC(Cl)=CC=C1)C(C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: 3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol dihydrochloride

InChI: InChI=1/C25H27ClN2O.2ClH/c26-22-12-7-13-23(18-22)28-16-14-27(15-17-28)19-24(29)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21;;/h1-13,18,24-25,29H,14-17,19H2;2*1H

Composition: C (62.57%), H (6.09%), Cl (22.16%), N (5.84%), O (3.33%)

Molar Mass: 479.87

Atom Count: 60

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	478.1345467
Formal Charge	0
FSP3	0.28
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	WPEXRXMQMPOHIO-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	121.24
Topological Polar Surface Area	26.71
Polarizability	46.77
Ring Count	4
Rotatable Bond Count	6

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