![CAS 690632-06-5 [3-[(4-METHYLPIPERIDINO)METHYL]PHENYL]METHANAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/690632-06-5.gif)
CAS RN: 690632-06-5
[3-[(4-METHYLPIPERIDINO)METHYL]PHENYL]METHANAMINE
- Product code: SSC-178695
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: 10g
- 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 |
|---|---|---|---|---|
| 10g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
690632-06-5 / [3-[(4-methylpiperidin-1-yl)methyl]phenyl]methanamine
Basic Information
CAS
690632-06-5
Multi CAS
No
Molecular Formula
C14H22N2
Molecular Weight
218.340000
Exact Mass
218.178299
InChI
InChI=1S/C14H22N2/c1-12-5-7-16(8-6-12)11-14-4-2-3-13(9-14)10-15/h2-4,9,12H,5-8,10-11,15H2,1H3
InChIKey
ZULQRDYUOOXCFV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
68.01
TPSA
29.26
LogP / Solubility
WLOGP
2.38
MLOGP
2.09
XLogP3
1.9
Consensus LogP
2.12
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
Class (SILICOS-IT)
Poorly 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)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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