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CAS 103315-50-0 1-PIPERAZINEBUTANAMINE molecular structure lightbox
CAS RN: 103315-50-0

1-PIPERAZINEBUTANAMINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250325 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS103315-50-0
  • Purity/Analytical Methods: >99.0%
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103315-50-0 / 4-piperazin-1-ylbutan-1-amine

1-Piperazinebutanamine | 4-(piperazin-1-yl)butan-1-amine | 4-piperazin-1-ylbutan-1-amine

Standard CAS: 103315-50-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
103315-50-0
Multi CAS
Yes
Molecular Formula
C8H19N3
Molecular Weight
157.260000
Exact Mass
157.157898
SMILES
C1CN(CCN1)CCCCN
InChI
InChI=1S/C8H19N3/c9-3-1-2-6-11-7-4-10-5-8-11/h10H,1-9H2
InChIKey
YONXRSPFKCGRNL-UHFFFAOYSA-N
Synonyms
1-Piperazinebutanamine 4-(piperazin-1-yl)butan-1-amine 4-piperazin-1-ylbutan-1-amine MFCD05618322 SCHEMBL1097521

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
47.6
TPSA
41.29

LogP / Solubility

WLOGP
-0.37
MLOGP
-0.33
XLogP3
-0.6
Consensus LogP
-0.43
Log S (ESOL)
-0.32
Class (ESOL)
Very soluble
Log S (Ali)
-0.58
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.86
Class (SILICOS-IT)
Very 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)
-3.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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