Name: tert-butyl 4-[4-methyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine-1-carboxylate

SMILES: Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C2CC(C)(C)CC(C)(C)C2)c1

Molecular Processing

Molecular formula

C26H42N2O2

Molecular weight

414.63

Exact mass

414.3246

XLogP

6.37

TPSA

32.78

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.731

Molar refractivity

125.35

Supplementary Information

InChIKey: VEUKQWIVIBCWTR-UHFFFAOYSA-N

Synonyme

SCHEMBL4854049VEUKQWIVIBCWTR-UHFFFAOYSA-N4-[4-Methyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine-1-carboxylic acid t-butyl ester