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CAS 23502-32-1 2-(2,6-Dimethylpiperidin-1-yl)ethanol molecular structure lightbox
CAS RN: 23502-32-1

2-(2,6-Dimethylpiperidin-1-yl)ethanol

  • Product code: SSC-113579
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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 23502-32-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

23502-32-1 / 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanol

Standard CAS: 23502-32-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23502-32-1
Multi CAS
No
Molecular Formula
C9H19NO
Molecular Weight
157.250000
Exact Mass
157.146664
SMILES
C[C@@H]1CCC[C@@H](N1CCO)C
InChI
InChI=1S/C9H19NO/c1-8-4-3-5-9(2)10(8)6-7-11/h8-9,11H,3-7H2,1-2H3/t8-,9+
InChIKey
NJBXJPLWOZJAJJ-DTORHVGOSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.57
TPSA
23.47

LogP / Solubility

WLOGP
1.24
MLOGP
1.09
XLogP3
1.3
Consensus LogP
1.21
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
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)
-2.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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