 |
| Ligand Name:
4-(pyrrolidin-1-yl)-1-{4-[2-(pyrrolidin-1-yl)ethyl]phenyl}piperidine |
| HET ID: 1VZ |
PubChem:
71598546
|
| DrugBank: - |
ChEMBL: CHEMBL3134131 |
| Canonical SMILES: C1CCN(C1)CCc1ccc(cc1)N1CCC(CC1)N1CCCC1 |
| Standard InChI: InChI=1S/C21H33N3/c1-2-13-22(12-1)16-9-19-5-7-20(8-6-19)24-17-10-21(11-18-24)23-14-3-4-15-23/h5-8,21H,1-4,9-18H2 |
| Molecular Formula: C21H33N3 |
Mol. Weight: 327.5068 |
Heavy Atoms: 24 |
| Charge: 0 |
Is Chiral: False |
logP: 3.3303 |
| HBD: 0 |
HBA: 3 |
TPSA: 9.72 |
| #Bonds: 27 |
#Rotatable Bonds: 5 |
Shape Complexity: 0.71428573 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |