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CAS 21043-42-5 1-CYCLOHEPTYL-PIPERAZINE molecular structure lightbox
CAS RN: 21043-42-5

1-CYCLOHEPTYL-PIPERAZINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250119 25g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS21043-42-5
  • Purity/Analytical Methods: >99.0%
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21043-42-5 / 1-cycloheptylpiperazine

Standard CAS: 21043-42-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21043-42-5
Multi CAS
No
Molecular Formula
C11H22N2
Molecular Weight
182.310000
Exact Mass
182.178299
SMILES
C1CCCC(CC1)N2CCNCC2
InChI
InChI=1S/C11H22N2/c1-2-4-6-11(5-3-1)13-9-7-12-8-10-13/h11-12H,1-10H2
InChIKey
CHSINHUYLALJPT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.93
TPSA
15.27

LogP / Solubility

WLOGP
1.61
MLOGP
1.42
XLogP3
2
Consensus LogP
1.68
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
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)
-2.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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