CAS RN: 1218096-48-0
1-(2-Cyano-benzyl)-piperidine-2-carboxylic 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.20250913 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1218096-48-0
- Purity/Analytical Methods: >99.0%
1218096-48-0 / 1-[(2-cyanophenyl)methyl]piperidine-2-carboxylic acid
Basic Information
CAS
1218096-48-0
Multi CAS
No
Molecular Formula
C14H16N2O2
Molecular Weight
244.290000
Exact Mass
244.121178
SMILES
C1CCN(C(C1)C(=O)O)CC2=CC=CC=C2C#N
InChI
InChI=1S/C14H16N2O2/c15-9-11-5-1-2-6-12(11)10-16-8-4-3-7-13(16)14(17)18/h1-2,5-6,13H,3-4,7-8,10H2,(H,17,18)
InChIKey
JFMOBZGNIDTMSW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.84
TPSA
64.33
LogP / Solubility
WLOGP
2
MLOGP
1.76
XLogP3
-0.3
Consensus LogP
1.15
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
8-Oxo-6,7-dihydro-5H-indolizine-5-carboxylic acid
- CAS RN: 1218197-94-4
- Product Code: SSC-024601
-
N-(o-tolyl)-2-(o-tolylaMino)propanaMide
- CAS RN: 1218227-75-8
- Product Code: starshine_CAS1218227-75-8
- Purity/Analytical method: >99.0%
-
-
METHYL 2-AMINO-2-(2,3-DICHLOROPHENYL)ACETATE
- CAS RN: 1218646-59-3
- Product Code: SSC-024624
-
2-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
- CAS RN: 1218739-03-7
- Product Code: starshine_CAS1218739-03-7
- Purity/Analytical method: >99.0%
-
1-PYRROLIDINECARBOXYLIC ACID, 3-AMINO-4-(4-FLUOROPHENYL)-, 1,1-DIMETHYLETHYL ESTER, (3R,4R)-REL-
- CAS RN: 1218764-14-7
- Product Code: SSC-024633
