CAS RN: 1823271-32-4
1-benzyl-4-(4-broMophenyl)piperidin-4-aMine
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251025 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINM927175
1823271-32-4 / 1-benzyl-4-(4-bromophenyl)piperidin-4-amine
Basic Information
CAS
1823271-32-4
Multi CAS
No
Molecular Formula
C18H21BrN2
Molecular Weight
345.300000
Exact Mass
344.088810
SMILES
C1CN(CCC1(C2=CC=C(C=C2)Br)N)CC3=CC=CC=C3
InChI
InChI=1S/C18H21BrN2/c19-17-8-6-16(7-9-17)18(20)10-12-21(13-11-18)14-15-4-2-1-3-5-15/h1-9H,10-14,20H2
InChIKey
IZINXOZWOYVOGD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
90.96
TPSA
29.26
LogP / Solubility
WLOGP
3.9
MLOGP
3.45
XLogP3
3.3
Consensus LogP
3.55
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06
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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![CAS 1833637-34-5 1-benzyl-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)piperidin-4-aMine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1833637-34-5.png)
