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CAS RN: 1352925-68-8
tert-butyl 4-((benzylaMino)Methyl)-4-hydroxypiperidine-1-carboxylate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250413 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1352925-68-8
- Purity/Analytical Methods: >99.0%
1352925-68-8 / tert-butyl 4-[(benzylamino)methyl]-4-hydroxypiperidine-1-carboxylate
Basic Information
CAS
1352925-68-8
Multi CAS
No
Molecular Formula
C18H28N2O3
Molecular Weight
320.400000
Exact Mass
320.209993
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CNCC2=CC=CC=C2)O
InChI
InChI=1S/C18H28N2O3/c1-17(2,3)23-16(21)20-11-9-18(22,10-12-20)14-19-13-15-7-5-4-6-8-15/h4-8,19,22H,9-14H2,1-3H3
InChIKey
VCXJTJJKILEODV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
90.14
TPSA
61.8
LogP / Solubility
WLOGP
2.54
MLOGP
2.25
XLogP3
1.9
Consensus LogP
2.23
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.33
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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