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CAS 69635-13-8 1,4-dibenzylpiperidin-4-ol molecular structure lightbox
CAS RN: 69635-13-8

1,4-dibenzylpiperidin-4-ol

  • Product code: SSC-179349
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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 69635-13-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

69635-13-8 / 1,4-dibenzylpiperidin-4-ol

Standard CAS: 69635-13-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
69635-13-8
Multi CAS
No
Molecular Formula
C19H23NO
Molecular Weight
281.400000
Exact Mass
281.177964
InChI
InChI=1S/C19H23NO/c21-19(15-17-7-3-1-4-8-17)11-13-20(14-12-19)16-18-9-5-2-6-10-18/h1-10,21H,11-16H2
InChIKey
JUJMPQYWZWZMBX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
86.05
TPSA
23.47

LogP / Solubility

WLOGP
3.26
MLOGP
2.88
XLogP3
3.4
Consensus LogP
3.18
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.67
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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