1-benzyl-4-(tert-butoxycarbonyl)piperazine-2-carboxylic acid

1-benzyl-4-(tert-butoxycarbonyl)piperazine-2-carboxylic acid

CAS: 181956-25-2

Formula: C17H24N2O4

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

IUPAC: 1-benzyl-4-[(tert-butoxy)carbonyl]piperazine-2-carboxylic acid

InChI: InChI=1/C17H24N2O4/c1-17(2,3)23-16(22)19-10-9-18(14(12-19)15(20)21)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,20,21)

Composition: C (63.73%), H (7.55%), N (8.74%), O (19.97%)

Molar Mass: 320.389

Atom Count: 47

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	320.173607261
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VLRKCGUUHDUPDO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.18
Topological Polar Surface Area	70.08
Polarizability	33.81
Ring Count	2
Rotatable Bond Count	5

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97%	<6 Days	181956-25-2		$142.60-$575.00$142.60$254.15$575.00

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95%	<5 Days	181956-25-2		$5,880.00$5,880.00