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
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 |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Hong Kong | Inquiry |
168272-95-5 / (3S,5R)-3,5-dimethylpiperidin-1-amine
Basic Information
CAS
168272-95-5
Multi CAS
No
Molecular Formula
C7H16N2
Molecular Weight
128.220000
Exact Mass
128.131349
SMILES
C[C@@H]1C[C@@H](CN(C1)N)C
InChI
InChI=1S/C7H16N2/c1-6-3-7(2)5-9(8)4-6/h6-7H,3-5,8H2,1-2H3/t6-,7+
InChIKey
WOCYUPDGHPFFLE-KNVOCYPGSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.71
TPSA
29.26
LogP / Solubility
WLOGP
0.84
MLOGP
0.73
XLogP3
1.2
Consensus LogP
0.92
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-1.22
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.19
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)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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