A1H95
- Molecular formula
- C11 H17 N3
- Molecular weight (g/mol)
- 191.28
- Classification
- LIKELY_SYNTHETIC
Related PDB structures · 1
Names & identifiers
- IUPAC name
- (3~{R})-3-methyl-1-(6-methylpyridin-2-yl)piperazine
- SMILES
- Cc1cccc(n1)N2CCNC(C2)C
- Isomeric SMILES
- Cc1cccc(n1)N2CCN[C@@H](C2)C
- InChI
- InChI=1S/C11H17N3/c1-9-4-3-5-11(13-9)14-7-6-12-10(2)8-14/h3-5,10,12H,6-8H2,1-2H3/t10-/m1/s1
- InChIKey
- YCMYTWGABUXSEI-SNVBAGLBSA-N
- CAS
- 582325-37-9
Chemical & physical properties
- HBA
- 3
- HBD
- 1
- TPSA (Ų)
- 28.16
- cLogP
- 1.19
- Chiral atoms
- 1
- Molar refractivity
- 58.65
- Rings
- 2
- Aromatic rings
- 1
- Fraction Csp³
- 0.55
- Formal charge
- 0
Calculated properties
QED0.722
NPScore-0.310490528
SAScore7.001899906