CAS RN: 1008779-94-9
3-Piperidinecarboxylic acid, 3-hydroxy-, Methyl ester
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.20250627 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1008779-94-9
- Purity/Analytical Methods: >99.0%
1008779-94-9 / methyl 3-hydroxypiperidine-3-carboxylate
Methyl 3-hydroxypiperidine-3-carboxylate | SCHEMBL659895 | DTXSID40729329
Basic Information
CAS
1008779-94-9
Multi CAS
No
Molecular Formula
C7H13NO3
Molecular Weight
159.180000
Exact Mass
159.089543
SMILES
COC(=O)C1(CCCNC1)O
InChI
InChI=1S/C7H13NO3/c1-11-6(9)7(10)3-2-4-8-5-7/h8,10H,2-5H2,1H3
InChIKey
XTESLNLUWWTVGF-UHFFFAOYSA-N
Synonyms
Methyl 3-hydroxypiperidine-3-carboxylate
SCHEMBL659895
DTXSID40729329
XTESLNLUWWTVGF-UHFFFAOYSA-N
Methyl3-hydroxypiperidine-3-carboxylate
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
39.07
TPSA
58.56
LogP / Solubility
WLOGP
-0.73
MLOGP
-0.64
XLogP3
-0.6
Consensus LogP
-0.66
Log S (ESOL)
-0.3
Class (ESOL)
Very soluble
Log S (Ali)
-0.34
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.21
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.21
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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