1-benzyl 4-tert-butyl (2S)-2-(cyanomethyl)piperazine-1,4-dicarboxylate

1-benzyl 4-tert-butyl (2S)-2-(cyanomethyl)piperazine-1,4-dicarboxylate

Formula: C19H25N3O4

SMILES: CC(C)(C)OC(=O)N1CCN([C@@H](CC#N)C1)C(=O)OCC1=CC=CC=C1

IUPAC: 1-benzyl 4-tert-butyl (2S)-2-(cyanomethyl)piperazine-1,4-dicarboxylate

InChI: InChI=1S/C19H25N3O4/c1-19(2,3)26-17(23)21-11-12-22(16(13-21)9-10-20)18(24)25-14-15-7-5-4-6-8-15/h4-8,16H,9,11-14H2,1-3H3/t16-/m0/s1

Composition: C (63.49%), H (7.01%), N (11.69%), O (17.81%)

Molar Mass: 359.426

Atom Count: 51

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	359.184506297
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	DQFHYQNTXCMXJL-INIZCTEOSA-N
Lipinski's Rule of Five	1
Molar Refractivity	95.68
Topological Polar Surface Area	82.87
Polarizability	37.22
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
96.32%	<7 Days	C19H25N3O4		$110.33-$1,385.67$110.33$187.00$439.45$1,385.67

LabNetwork INC

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	1 Day	C19H25N3O4		$136.08-$3,402.00$136.08$238.14$544.32$2,041.20$3,402.00