CAS RN: 1159983-49-9
2-(4-AMINO-1-(4-METHOXYPHENYL)PIPERIDIN-4-YL)ACETIC ACID
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.20260602 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1159983-49-9
- Purity/Analytical Methods: >99.0%
1159983-49-9 / 2-[4-amino-1-(4-methoxyphenyl)piperidin-4-yl]acetic acid
2-(4-AMINO-1-(4-METHOXYPHENYL)PIPERIDIN-4-YL)ACETIC ACID | 2-[4-amino-1-(4-methoxyphenyl)-4-piperidyl]acetic acid | 2-[4-amino-1-(4-methoxyphenyl)piperidin-4-yl]acetic acid
Basic Information
CAS
1159983-49-9
Multi CAS
No
Molecular Formula
C14H20N2O3
Molecular Weight
264.320000
Exact Mass
264.147393
SMILES
COC1=CC=C(C=C1)N2CCC(CC2)(CC(=O)O)N
InChI
InChI=1S/C14H20N2O3/c1-19-12-4-2-11(3-5-12)16-8-6-14(15,7-9-16)10-13(17)18/h2-5H,6-10,15H2,1H3,(H,17,18)
InChIKey
CWHZDPIUEHJASZ-UHFFFAOYSA-N
Synonyms
2-(4-AMINO-1-(4-METHOXYPHENYL)PIPERIDIN-4-YL)ACETIC ACID
2-[4-amino-1-(4-methoxyphenyl)-4-piperidyl]acetic acid
2-[4-amino-1-(4-methoxyphenyl)piperidin-4-yl]acetic acid
MFCD08460442
AKOS015968863
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
73.61
TPSA
75.79
LogP / Solubility
WLOGP
1.47
MLOGP
1.3
XLogP3
-0.8
Consensus LogP
0.66
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
Class (SILICOS-IT)
Poorly 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)
-3.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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