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

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

CAS: 883512-41-2

Formula: C18H19FN2O

SMILES: FC1=C(C=CC(C=O)=C1)N1CCN(CC2=CC=CC=C2)CC1

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

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

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	YCFZOGSISOTMKW-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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