5-fluoro-2-(piperidin-4-yl)-1H-1,3-benzodiazole dihydrochloride

5-fluoro-2-(piperidin-4-yl)-1H-1,3-benzodiazole dihydrochloride

CAS: 295790-49-7

Formula: C12H16Cl2FN3

SMILES: Cl.Cl.FC1=CC=C2NC(=NC2=C1)C1CCNCC1

IUPAC: 5-fluoro-2-(piperidin-4-yl)-1H-1,3-benzodiazole dihydrochloride

InChI: InChI=1S/C12H14FN3.2ClH/c13-9-1-2-10-11(7-9)16-12(15-10)8-3-5-14-6-4-8;;/h1-2,7-8,14H,3-6H2,(H,15,16);2*1H

Composition: C (49.33%), H (5.52%), Cl (24.27%), F (6.50%), N (14.38%)

Molar Mass: 292.18

Atom Count: 34

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	291.0705311
Formal Charge	0
FSP3	0.42
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	LJQCMGHZDYTTSM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.06
Topological Polar Surface Area	40.71
Polarizability	24.22
Ring Count	3
Rotatable Bond Count	1

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