CAS RN: 1061682-82-3
(S)-N,N-diMethylpiperidin-3-aMine hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250727 | 50mg / 100mg / 250g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1061682-82-3
- Purity/Analytical Methods: >99.0%
1061682-82-3 / (3S)-N,N-dimethylpiperidin-3-amine;hydrochloride
(S)-N,N-dimethylpiperidin-3-amine hydrochloride | (3S)-N,N-dimethylpiperidin-3-amine hydrochloride | (3S)-N,N-dimethylpiperidin-3-amine;hydrochloride
Basic Information
CAS
1061682-82-3
Multi CAS
Yes
Molecular Formula
C7H17ClN2
Molecular Weight
164.670000
Exact Mass
164.108026
SMILES
CN(C)[C@H]1CCCNC1.Cl
InChI
InChI=1S/C7H16N2.ClH/c1-9(2)7-4-3-5-8-6-7;/h7-8H,3-6H2,1-2H3;1H/t7-;/m0./s1
InChIKey
XZZOSNWJJWJGDL-FJXQXJEOSA-N
Synonyms
(S)-N,N-dimethylpiperidin-3-amine hydrochloride
(3S)-N,N-dimethylpiperidin-3-amine hydrochloride
(3S)-N,N-dimethylpiperidin-3-amine;hydrochloride
MFCD20687658
Dimethyl-(S)-piperidin-3-yl-amine hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.83
TPSA
15.27
LogP / Solubility
WLOGP
0.72
MLOGP
0.63
XLogP3
0.72
Consensus LogP
0.69
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.45
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)
-3.21
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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