CAS RN: 1303968-14-0
4-Aminomethyl-1-Boc-piperidin-4-ol 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.20260516 | 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1303968-14-0
- Purity/Analytical Methods: >99.0%
1303968-14-0 / tert-butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate;hydrochloride
Basic Information
CAS
1303968-14-0
Multi CAS
No
Molecular Formula
C11H23ClN2O3
Molecular Weight
266.760000
Exact Mass
266.139720
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CN)O.Cl
InChI
InChI=1S/C11H22N2O3.ClH/c1-10(2,3)16-9(14)13-6-4-11(15,8-12)5-7-13;/h15H,4-8,12H2,1-3H3;1H
InChIKey
BYMSEJCIOXCEEI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
68.29
TPSA
75.79
LogP / Solubility
WLOGP
1.13
MLOGP
1
XLogP3
1.13
Consensus LogP
1.09
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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