2-(4-benzylpiperazin-1-yl)-3-fluorobenzaldehyde

2-(4-benzylpiperazin-1-yl)-3-fluorobenzaldehyde

CAS: 883512-18-3

Formula: C18H19FN2O

SMILES: FC1=CC=CC(C=O)=C1N1CCN(CC2=CC=CC=C2)CC1

IUPAC: 2-(4-benzylpiperazin-1-yl)-3-fluorobenzaldehyde

InChI: InChI=1S/C18H19FN2O/c19-17-8-4-7-16(14-22)18(17)21-11-9-20(10-12-21)13-15-5-2-1-3-6-15/h1-8,14H,9-13H2

Composition: C (72.46%), H (6.42%), F (6.37%), N (9.39%), O (5.36%)

Molar Mass: 298.361

Atom Count: 41

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	298.148141403
Formal Charge	0
FSP3	0.28
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	IGPMDKVBYMCGQO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.95
Topological Polar Surface Area	23.55
Polarizability	32.61
Ring Count	3
Rotatable Bond Count	4

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