![CAS 1146514-70-6 1-[1-(4-Amino-2-pyridinyl)-4-phenyl-4-piperidinyl]ethanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1146514-70-6.gif)
CAS RN: 1146514-70-6
1-[1-(4-Amino-2-pyridinyl)-4-phenyl-4-piperidinyl]ethanone
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.20260221 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1146514-70-6
- Purity/Analytical Methods: >99.0%
1146514-70-6 / 1-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]ethanone
CHEMBL494771 | 1-[1-(4-Amino-2-pyridinyl)-4-phenyl-4-piperidinyl]ethanone | 1-[1-(4-aminopyridin-2-yl)-4-phenylpiperidin-4-yl]ethan-1-one
Basic Information
CAS
1146514-70-6
Multi CAS
No
Molecular Formula
C18H21N3O
Molecular Weight
295.400000
Exact Mass
295.168462
SMILES
CC(=O)C1(CCN(CC1)C2=NC=CC(=C2)N)C3=CC=CC=C3
InChI
InChI=1S/C18H21N3O/c1-14(22)18(15-5-3-2-4-6-15)8-11-21(12-9-18)17-13-16(19)7-10-20-17/h2-7,10,13H,8-9,11-12H2,1H3,(H2,19,20)
InChIKey
HHUZCRCCGCQHQE-UHFFFAOYSA-N
Synonyms
CHEMBL494771
1-[1-(4-Amino-2-pyridinyl)-4-phenyl-4-piperidinyl]ethanone
1-[1-(4-aminopyridin-2-yl)-4-phenylpiperidin-4-yl]ethan-1-one
BDBM50257889
1-(1-(4-aminopyridin-2-yl)-4-phenylpiperidin-4-yl)ethanone
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
88.9
TPSA
59.22
LogP / Solubility
WLOGP
2.79
MLOGP
2.47
XLogP3
2.3
Consensus LogP
2.52
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.26
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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