tert-butyl 4-(4-carbamimidoylphenyl)piperazine-1-carboxylate

tert-butyl 4-(4-carbamimidoylphenyl)piperazine-1-carboxylate

CAS: 885270-17-7

Formula: C16H24N4O2

SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C1=CC=C(C=C1)C(N)=N

IUPAC: tert-butyl 4-(4-carbamimidoylphenyl)piperazine-1-carboxylate

InChI: InChI=1S/C16H24N4O2/c1-16(2,3)22-15(21)20-10-8-19(9-11-20)13-6-4-12(5-7-13)14(17)18/h4-7H,8-11H2,1-3H3,(H3,17,18)

Composition: C (63.13%), H (7.95%), N (18.41%), O (10.51%)

Molar Mass: 304.394

Atom Count: 46

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	304.189926029
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	CHEGVGMHYBAEPA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	97.91
Topological Polar Surface Area	82.65
Polarizability	32.91
Ring Count	2
Rotatable Bond Count	4

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