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CAS 22014-04-6 2-(2-ETHYL-PIPERIDIN-1-YL)-ETHYLAMINE molecular structure lightbox
CAS RN: 22014-04-6

2-(2-ETHYL-PIPERIDIN-1-YL)-ETHYLAMINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260316 100mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS22014-04-6
  • Purity/Analytical Methods: >99.0%
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22014-04-6 / 2-(2-ethylpiperidin-1-yl)ethanamine

Standard CAS: 22014-04-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22014-04-6
Multi CAS
No
Molecular Formula
C9H20N2
Molecular Weight
156.270000
Exact Mass
156.162649
SMILES
CCC1CCCCN1CCN
InChI
InChI=1S/C9H20N2/c1-2-9-5-3-4-7-11(9)8-6-10/h9H,2-8,10H2,1H3
InChIKey
AKORAGHXVCPPSO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.56
TPSA
29.26

LogP / Solubility

WLOGP
1.21
MLOGP
1.06
XLogP3
1.1
Consensus LogP
1.12
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
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)
-2.81

Drug-likeness / Medicinal Chemistry

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

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