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CAS 3616-58-8 N-(2,2-DIETHOXYETHYL)PIPERIDINE molecular structure lightbox
CAS RN: 3616-58-8

N-(2,2-DIETHOXYETHYL)PIPERIDINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250803 1g / 5g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS3616-58-8
  • Purity/Analytical Methods: >99.0%
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3616-58-8 / 1-(2,2-diethoxyethyl)piperidine

Standard CAS: 3616-58-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3616-58-8
Multi CAS
No
Molecular Formula
C11H23NO2
Molecular Weight
201.310000
Exact Mass
201.172879
InChI
InChI=1S/C11H23NO2/c1-3-13-11(14-4-2)10-12-8-6-5-7-9-12/h11H,3-10H2,1-2H3
InChIKey
VSHHRRNJQBETGT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
57.33
TPSA
21.7

LogP / Solubility

WLOGP
1.87
MLOGP
1.65
XLogP3
1.7
Consensus LogP
1.74
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.24
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)
-2.62

Drug-likeness / Medicinal Chemistry

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

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