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CAS 956214-85-0 (3S)-Amino-1-methyl-piperidin-2-one molecular structure lightbox
CAS RN: 956214-85-0

(3S)-Amino-1-methyl-piperidin-2-one

  • Product code: SSC-211125
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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: 1g
  • 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 956214-85-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

956214-85-0 / 3-amino-1-methylpiperidin-2-one

Standard CAS: 956214-85-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
956214-85-0
Multi CAS
Yes
Molecular Formula
C6H12N2O
Molecular Weight
128.170000
Exact Mass
128.094963
InChI
InChI=1S/C6H12N2O/c1-8-4-2-3-5(7)6(8)9/h5H,2-4,7H2,1H3/t5-/m0/s1
InChIKey
PSQIHNMCKXPRQQ-YFKPBYRVSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.85
TPSA
46.33

LogP / Solubility

WLOGP
-0.43
MLOGP
-0.39
XLogP3
-0.7
Consensus LogP
-0.51
Log S (ESOL)
-0.36
Class (ESOL)
Very soluble
Log S (Ali)
-0.3
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.13
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-3.81

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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