![CAS 416881-01-1 N-(benzo[d][1,3]dioxol-5-yl)-1-benzylpiperidin-4-aMine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/416881-01-1.png)
CAS RN: 416881-01-1
N-(benzo[d][1,3]dioxol-5-yl)-1-benzylpiperidin-4-aMine
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251005 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINN926574
416881-01-1 / N-(1,3-benzodioxol-5-yl)-1-benzylpiperidin-4-amine
Basic Information
CAS
416881-01-1
Multi CAS
No
Molecular Formula
C19H22N2O2
Molecular Weight
310.400000
Exact Mass
310.168128
InChI
InChI=1S/C19H22N2O2/c1-2-4-15(5-3-1)13-21-10-8-16(9-11-21)20-17-6-7-18-19(12-17)23-14-22-18/h1-7,12,16,20H,8-11,13-14H2
InChIKey
LYGICVSZWFJIIT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
90.93
TPSA
33.73
LogP / Solubility
WLOGP
3.49
MLOGP
3.09
XLogP3
3.8
Consensus LogP
3.46
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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![CAS 85342-62-7 1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl trifluoromethanesulfonate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/85342-62-7.png)
