CAS RN: 1009376-78-6
3-Piperidinecarboxylic acid, 6-Methyl-, Methyl ester, (3R,6S)-rel-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250625 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1009376-78-6
- Purity/Analytical Methods: >99.0%
1009376-78-6 / methyl (3R,6S)-6-methylpiperidine-3-carboxylate
Methyl 6-methylpiperidine-3-carboxylate | MFCD13178893 | 6-methyl-3-piperidinecarboxylic acid methyl ester
Basic Information
CAS
1009376-78-6
Multi CAS
Yes
Molecular Formula
C8H15NO2
Molecular Weight
157.210000
Exact Mass
157.110279
SMILES
C[C@H]1CC[C@H](CN1)C(=O)OC
InChI
InChI=1S/C8H15NO2/c1-6-3-4-7(5-9-6)8(10)11-2/h6-7,9H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKey
AJUGGHOVBBTHCD-NKWVEPMBSA-N
Synonyms
Methyl 6-methylpiperidine-3-carboxylate
MFCD13178893
6-methyl-3-piperidinecarboxylic acid methyl ester
6-Methyl-piperidine-3-carboxylic acid methyl ester
6-methyl-3piperidinecarboxylic acid methyl ester
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.2
TPSA
38.33
LogP / Solubility
WLOGP
0.55
MLOGP
0.48
XLogP3
0.6
Consensus LogP
0.54
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.26
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)
-3.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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