CAS RN: 23804-63-9
4-(Aminomethyl)-1-methyl-4-piperidinolhydrochloride
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.20250111 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS23804-63-9
- Purity/Analytical Methods: >99.0%
23804-63-9 / 4-(aminomethyl)-1-methylpiperidin-4-ol;hydrochloride
Basic Information
CAS
23804-63-9
Multi CAS
No
Molecular Formula
C7H17ClN2O
Molecular Weight
180.670000
Exact Mass
180.102941
SMILES
CN1CCC(CC1)(CN)O.Cl
InChI
InChI=1S/C7H16N2O.ClH/c1-9-4-2-7(10,6-8)3-5-9;/h10H,2-6,8H2,1H3;1H
InChIKey
XCTPMBZCYFICBI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
47.98
TPSA
49.49
LogP / Solubility
WLOGP
-0.18
MLOGP
-0.16
XLogP3
-0.18
Consensus LogP
-0.17
Log S (ESOL)
-0.78
Class (ESOL)
Very soluble
Log S (Ali)
-0.91
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.81
Class (SILICOS-IT)
Very 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)
-3.95
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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