1-Methyl-4-[2-(1-naphthyloxy)ethyl]piperazine

ID: ALA5276899

Chembl Id: CHEMBL5276899

Max Phase: Preclinical

Molecular Formula: C17H22N2O

Molecular Weight: 270.38

Names and Identifiers

Canonical SMILES:  CN1CCN(CCOc2cccc3ccccc23)CC1

Standard InChI:  InChI=1S/C17H22N2O/c1-18-9-11-19(12-10-18)13-14-20-17-8-4-6-15-5-2-3-7-16(15)17/h2-8H,9-14H2,1H3

Standard InChI Key:  ARHNYWFGGRZJSZ-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5276899

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 270.38

Molecular Weight (Monoisotopic): 270.1732

AlogP: 2.47

#Rotatable Bonds: 4

Polar Surface Area: 15.71

Molecular Species: NEUTRAL

HBA: 3

HBD: ┄

#RO5 Violations: ┄

HBA (Lipinski): 3

HBD (Lipinski): ┄

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: 7.92

CX LogP: 2.67

CX LogD: 2.03

Aromatic Rings: 2

Heavy Atoms: 20

QED Weighted: 0.85

Np Likeness Score: -1.11

References

1. Aranha CMSQ, Reiner-Link D, Leitzbach LR, Lopes FB, Stark H, Fernandes JPS..  (2023)  Multitargeting approaches to cognitive impairment: Synthesis of aryl-alkylpiperazines and assessment at cholinesterases, histamine H₃ and dopamine D₃ receptors.,  78  [PMID:36542960] [10.1016/j.bmc.2022.117132]

Source

Source(1):

• Scientific Literature