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2-(2,2-Dicyclopentylethyl)piperidine ID: ALA4077250
Chembl Id: CHEMBL4077250
PubChem CID: 137649539
Max Phase: Preclinical
Molecular Formula: C17H31N
Molecular Weight: 249.44
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: C1CCC(CC(C2CCCC2)C2CCCC2)NC1
Standard InChI: InChI=1S/C17H31N/c1-2-8-14(7-1)17(15-9-3-4-10-15)13-16-11-5-6-12-18-16/h14-18H,1-13H2
Standard InChI Key: QVXSOUUKICNMRC-UHFFFAOYSA-N
Associated Targets(Human) Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Drug Indications MESH ID MESH Heading EFO IDs EFO Terms Max Phase for Indication References
Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Calculated Properties Molecular Weight: 249.44Molecular Weight (Monoisotopic): 249.2456AlogP: 4.52#Rotatable Bonds: 4Polar Surface Area: 12.03Molecular Species: BASEHBA: 1HBD: 1#RO5 Violations: ┄HBA (Lipinski): 1HBD (Lipinski): 1#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: 10.58CX LogP: 4.64CX LogD: 1.73Aromatic Rings: ┄Heavy Atoms: 18QED Weighted: 0.77Np Likeness Score: 0.37
References 1. Tseng CC, Noordali H, Sani M, Madhani M, Grant DM, Frenneaux MP, Zanda M, Greig IR.. (2017) Development of Fluorinated Analogues of Perhexiline with Improved Pharmacokinetic Properties and Retained Efficacy., 60 (7): [PMID:28277663 ] [10.1021/acs.jmedchem.6b01592 ]