2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-methylpropanenitrile

2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-methylpropanenitrile

CAS: 256958-78-8

Formula: C14H17Cl2N3

SMILES: CC(C)(C#N)N1CCN(CC1)C1=CC(Cl)=C(Cl)C=C1

IUPAC: 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-methylpropanenitrile

InChI: InChI=1S/C14H17Cl2N3/c1-14(2,10-17)19-7-5-18(6-8-19)11-3-4-12(15)13(16)9-11/h3-4,9H,5-8H2,1-2H3

Composition: C (56.39%), H (5.75%), Cl (23.78%), N (14.09%)

Molar Mass: 298.21

Atom Count: 36

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	297.079953
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	SKWHWEZKFHOTDE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.42
Topological Polar Surface Area	30.27
Polarizability	30.61
Ring Count	2
Rotatable Bond Count	2

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90%	<2 Days	256958-78-8		$51.35-$524.40$51.35$63.37$86.31$524.40