CAS RN: 1210494-26-0
4-aMino-1-(4-chloro-benzyl)-piperidine-4-carboxylic acid Methyl ester dihydrochloride
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.20250823 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1210494-26-0
- Purity/Analytical Methods: >99.0%
1210494-26-0 / methyl 4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylate;dihydrochloride
Methyl 4-amino-1-(4-chlorobenzyl)piperidine-4-carboxylate dihydrochloride | 4-amino-1-(4-chloro-benzyl)-piperidine-4-carboxylic acid methyl ester dihydrochloride | MFCD08543515
Basic Information
CAS
1210494-26-0
Multi CAS
No
Molecular Formula
C14H21Cl3N2O2
Molecular Weight
355.700000
Exact Mass
354.066861
SMILES
COC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)Cl)N.Cl.Cl
InChI
InChI=1S/C14H19ClN2O2.2ClH/c1-19-13(18)14(16)6-8-17(9-7-14)10-11-2-4-12(15)5-3-11;;/h2-5H,6-10,16H2,1H3;2*1H
InChIKey
LTUTUBUEURQDLJ-UHFFFAOYSA-N
Synonyms
Methyl 4-amino-1-(4-chlorobenzyl)piperidine-4-carboxylate dihydrochloride
4-amino-1-(4-chloro-benzyl)-piperidine-4-carboxylic acid methyl ester dihydrochloride
MFCD08543515
C14H21Cl3N2O2
Methyl 4-amino-1-(4-chlorobenzyl)piperidine-4-carboxylate DiHCl
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
89.39
TPSA
55.56
LogP / Solubility
WLOGP
2.65
MLOGP
2.35
XLogP3
2.65
Consensus LogP
2.55
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.53
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
Yes
Log Kp (skin permeation)
-3.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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