CAS RN: 1352232-87-1
(2S)-2-PROP-2-ENYLPIPERIDINE HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251008 | 250mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1352232-87-1
- Purity/Analytical Methods: >99.0%
1352232-87-1 / (2S)-2-prop-2-enylpiperidine;hydrochloride
Basic Information
CAS
1352232-87-1
Multi CAS
No
Molecular Formula
C8H16ClN
Molecular Weight
161.670000
Exact Mass
161.097127
SMILES
C=CC[C@@H]1CCCCN1.Cl
InChI
InChI=1S/C8H15N.ClH/c1-2-5-8-6-3-4-7-9-8;/h2,8-9H,1,3-7H2;1H/t8-;/m1./s1
InChIKey
XLYYDRWNVMFCFS-DDWIOCJRSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.7
TPSA
12.03
LogP / Solubility
WLOGP
2.13
MLOGP
1.87
XLogP3
2.13
Consensus LogP
2.04
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately 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)
-2.2
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
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