1-(4-fluorophenyl)-4-(piperazin-1-yl)butan-1-one dihydrochloride

1-(4-fluorophenyl)-4-(piperazin-1-yl)butan-1-one dihydrochloride

CAS: 89027-27-0

Formula: C14H21Cl2FN2O

SMILES: Cl.Cl.FC1=CC=C(C=C1)C(=O)CCCN1CCNCC1

IUPAC: 1-(4-fluorophenyl)-4-(piperazin-1-yl)butan-1-one dihydrochloride

InChI: InChI=1S/C14H19FN2O.2ClH/c15-13-5-3-12(4-6-13)14(18)2-1-9-17-10-7-16-8-11-17;;/h3-6,16H,1-2,7-11H2;2*1H

Composition: C (52.02%), H (6.55%), Cl (21.93%), F (5.88%), N (8.67%), O (4.95%)

Molar Mass: 323.23

Atom Count: 41

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	322.1014969
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	WLDLFZGXYXOVFH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.32
Topological Polar Surface Area	32.34
Polarizability	27.09
Ring Count	2
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<2 Days	89027-27-0		$179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70