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

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

CAS: 1185399-19-2

Formula: C12H16Cl2FN3

SMILES: Cl.Cl.FC1=CC=C2NC(=NC2=C1)C1CCCCN1

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

InChI: InChI=1/C12H14FN3.2ClH/c13-8-4-5-9-11(7-8)16-12(15-9)10-3-1-2-6-14-10;;/h4-5,7,10,14H,1-3,6H2,(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	1
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	AIGRQHWPFJOABF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.65
Topological Polar Surface Area	40.71
Polarizability	24.29
Ring Count	3
Rotatable Bond Count	1

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