CC1CNC(CN1CC2=CC=C(C=C2)Cl)C
Nom: 1-[(4-chlorophenyl)methyl]-2,5-dimethylpiperazine
SMILES: CC1CNC(CN1CC2=CC=C(C=C2)Cl)C

Molecular Processing

Molecular formula
C13H19ClN2
Molecular weight
238.76
Exact mass
238.1237
XLogP
2.52
TPSA
15.27
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
68.79

Supplementary Information

InChIKey: ZXMDXHSKGRSJGC-UHFFFAOYSA-N
Synonymes
SCHEMBL10504025ZXMDXHSKGRSJGC-UHFFFAOYSA-N4-chlorobenzyl-2,5-dimethylpiperazineAKOS0141734231-(4-Chloro-benzyl)-2,5-dimethyl-piperazine
Voir la source →
Impliqué dans 7 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→