C[C@@H]1CN(c2ccc(Cl)c(N)c2)C[C@H](C)N1
Name: 2-chloro-5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]aniline
SMILES: C[C@@H]1CN(c2ccc(Cl)c(N)c2)C[C@H](C)N1

Molecular Processing

Molecular formula
C12H18ClN3
Molecular weight
239.75
Exact mass
239.1189
XLogP
2.11
TPSA
41.29
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
70.14

Supplementary Information

InChIKey: QGNNEILGRBUAMD-DTORHVGOSA-N
Synonyms
SCHEMBL4801584QGNNEILGRBUAMD-DTORHVGOSA-N5-(cis-3,5-Dimethyl-1-piperazinyl)-2-chloroaniline
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Involved in 3 reactions→

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