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CAS 1965314-72-0 (S)-1-Isopropyl-3-methyl-piperazine dihydrochloride molecular structure lightbox
CAS RN: 1965314-72-0

(S)-1-Isopropyl-3-methyl-piperazine dihydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250418 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1965314-72-0
  • Purity/Analytical Methods: >99.0%
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1965314-72-0 / (3S)-3-methyl-1-propan-2-ylpiperazine;dihydrochloride

Standard CAS: 1965314-72-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1965314-72-0
Multi CAS
No
Molecular Formula
C8H20Cl2N2
Molecular Weight
215.160000
Exact Mass
214.100354
SMILES
C[C@H]1CN(CCN1)C(C)C.Cl.Cl
InChI
InChI=1S/C8H18N2.2ClH/c1-7(2)10-5-4-9-8(3)6-10;;/h7-9H,4-6H2,1-3H3;2*1H/t8-;;/m0../s1
InChIKey
IJQBDFLIEYUUSD-JZGIKJSDSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.67
TPSA
15.27

LogP / Solubility

WLOGP
1.53
MLOGP
1.35
XLogP3
1.53
Consensus LogP
1.47
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
Class (SILICOS-IT)
Moderately 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)
-2.94

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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