4-(4-benzylpiperazin-1-yl)benzaldehyde

4-(4-benzylpiperazin-1-yl)benzaldehyde

CAS: 166438-88-6

Formula: C18H20N2O

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

IUPAC: 4-(4-benzylpiperazin-1-yl)benzaldehyde

InChI: InChI=1S/C18H20N2O/c21-15-17-6-8-18(9-7-17)20-12-10-19(11-13-20)14-16-4-2-1-3-5-16/h1-9,15H,10-14H2

Composition: C (77.11%), H (7.19%), N (9.99%), O (5.71%)

Molar Mass: 280.371

Atom Count: 41

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	280.157563272
Formal Charge	0
FSP3	0.28
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	JDWZUVQRUPAVPK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.73
Topological Polar Surface Area	23.55
Polarizability	32.99
Ring Count	3
Rotatable Bond Count	4

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