CAS RN: 132740-52-4
4-Piperidinemethanamine,1-(1-methylethyl)-(9CI)
- Product code: SSC-039535
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 | Shanghai | Inquiry |
132740-52-4 / (1-propan-2-ylpiperidin-4-yl)methanamine
Basic Information
CAS
132740-52-4
Multi CAS
No
Molecular Formula
C9H20N2
Molecular Weight
156.270000
Exact Mass
156.162649
SMILES
CC(C)N1CCC(CC1)CN
InChI
InChI=1S/C9H20N2/c1-8(2)11-5-3-9(7-10)4-6-11/h8-9H,3-7,10H2,1-2H3
InChIKey
IYCMYOWBZQNVBV-UHFFFAOYSA-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
48.49
TPSA
29.26
LogP / Solubility
WLOGP
1.07
MLOGP
0.93
XLogP3
0.9
Consensus LogP
0.97
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
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)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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