CAS RN: 173337-02-5
1-Acetyl-4-piperidineMethanaMine HCl
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.20260616 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS173337-02-5
- Purity/Analytical Methods: >99.0%
173337-02-5 / 1-[4-(aminomethyl)piperidin-1-yl]ethanone;hydrochloride
Basic Information
CAS
173337-02-5
Multi CAS
No
Molecular Formula
C8H17ClN2O
Molecular Weight
192.680000
Exact Mass
192.102941
SMILES
CC(=O)N1CCC(CC1)CN.Cl
InChI
InChI=1S/C8H16N2O.ClH/c1-7(11)10-4-2-8(6-9)3-5-10;/h8H,2-6,9H2,1H3;1H
InChIKey
VLEJUJAYKJRPHY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.28
TPSA
46.33
LogP / Solubility
WLOGP
0.63
MLOGP
0.55
XLogP3
0.63
Consensus LogP
0.6
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
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)
-3.45
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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