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CAS 91596-61-1 1-PIPERIDIN-4-YLPYRROLIDIN-2-ONE molecular structure lightbox
CAS RN: 91596-61-1

1-PIPERIDIN-4-YLPYRROLIDIN-2-ONE

  • Product code: SSC-204882
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 91596-61-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

91596-61-1 / 1-piperidin-4-ylpyrrolidin-2-one

Standard CAS: 91596-61-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
91596-61-1
Multi CAS
No
Molecular Formula
C9H16N2O
Molecular Weight
168.240000
Exact Mass
168.126263
InChI
InChI=1S/C9H16N2O/c12-9-2-1-7-11(9)8-3-5-10-6-4-8/h8,10H,1-7H2
InChIKey
CCWNMBJRWFCCOD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.84
TPSA
32.34

LogP / Solubility

WLOGP
0.36
MLOGP
0.31
XLogP3
-0.1
Consensus LogP
0.19
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.17
Class (SILICOS-IT)
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)
-3.49

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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