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

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

CAS: 557056-07-2

Formula: C18H26N2O5

SMILES: CC(C)(C)OC(=O)N1CCN(CC1CO)C(=O)OCC1=CC=CC=C1

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

InChI: InChI=1/C18H26N2O5/c1-18(2,3)25-17(23)20-10-9-19(11-15(20)12-21)16(22)24-13-14-7-5-4-6-8-14/h4-8,15,21H,9-13H2,1-3H3

Composition: C (61.70%), H (7.48%), N (7.99%), O (22.83%)

Molar Mass: 350.415

Atom Count: 51

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	350.184171945
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	OKWDDQLIGHSFEA-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.21
Topological Polar Surface Area	79.31
Polarizability	36.16
Ring Count	2
Rotatable Bond Count	6

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