1-(2-phenylethyl)piperazine-2,6-dione

1-(2-phenylethyl)piperazine-2,6-dione

CAS: 247128-18-3

Formula: C12H14N2O2

SMILES: O=C1CNCC(=O)N1CCC1=CC=CC=C1

IUPAC: 1-(2-phenylethyl)piperazine-2,6-dione

InChI: InChI=1S/C12H14N2O2/c15-11-8-13-9-12(16)14(11)7-6-10-4-2-1-3-5-10/h1-5,13H,6-9H2

Composition: C (66.04%), H (6.47%), N (12.84%), O (14.66%)

Molar Mass: 218.256

Atom Count: 30

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	218.105527699
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	XBHWPKXZICRGPT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.87
Topological Polar Surface Area	49.41
Polarizability	23.46
Ring Count	2
Rotatable Bond Count	3

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