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CAS 139062-96-7 1-Acetyl-4-(methylamino)piperidine molecular structure lightbox
CAS RN: 139062-96-7

1-Acetyl-4-(methylamino)piperidine

  • Product code: SSC-049180
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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 139062-96-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

139062-96-7 / 1-[4-(methylamino)piperidin-1-yl]ethanone

Standard CAS: 139062-96-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
139062-96-7
Multi CAS
No
Molecular Formula
C8H16N2O
Molecular Weight
156.230000
Exact Mass
156.126263
SMILES
CC(=O)N1CCC(CC1)NC
InChI
InChI=1S/C8H16N2O/c1-7(11)10-5-3-8(9-2)4-6-10/h8-9H,3-6H2,1-2H3
InChIKey
RSEPODZAQBVPOS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.34
TPSA
32.34

LogP / Solubility

WLOGP
0.22
MLOGP
0.19
XLogP3
-0.2
Consensus LogP
0.07
Log S (ESOL)
-0.88
Class (ESOL)
Very soluble
Log S (Ali)
-1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.98
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)
-3.52

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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