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CAS 161115-88-4 2-(2-Methylphenyl)piperazine dihydrochloride molecular structure lightbox
CAS RN: 161115-88-4

2-(2-Methylphenyl)piperazine dihydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250418 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS161115-88-4
  • Purity/Analytical Methods: >99.0%
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161115-88-4 / 2-(2-methylphenyl)piperazine;dihydrochloride

Standard CAS: 161115-88-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
161115-88-4
Multi CAS
No
Molecular Formula
C11H18Cl2N2
Molecular Weight
249.180000
Exact Mass
248.084704
SMILES
CC1=CC=CC=C1C2CNCCN2.Cl.Cl
InChI
InChI=1S/C11H16N2.2ClH/c1-9-4-2-3-5-10(9)11-8-12-6-7-13-11;;/h2-5,11-13H,6-8H2,1H3;2*1H
InChIKey
OERPRZGKLYYSHB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
69.29
TPSA
24.06

LogP / Solubility

WLOGP
2.07
MLOGP
1.83
XLogP3
2.07
Consensus LogP
1.99
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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