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: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1282388-18-4 / 3-(naphthalen-2-ylmethyl)piperidine
Basic Information
CAS
1282388-18-4
Multi CAS
No
Molecular Formula
C16H19N
Molecular Weight
225.330000
Exact Mass
225.151750
SMILES
C1CC(CNC1)CC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C16H19N/c1-2-6-16-11-13(7-8-15(16)5-1)10-14-4-3-9-17-12-14/h1-2,5-8,11,14,17H,3-4,9-10,12H2
InChIKey
JZITZRZHDBNSIV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
73.25
TPSA
12.03
LogP / Solubility
WLOGP
3.38
MLOGP
2.98
XLogP3
3.7
Consensus LogP
3.35
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.17
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.69
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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