CAS RN: 1289386-08-8
Bis-(2-Methyl-benzyl)-piperidin-3-ylMethyl-aMine hydrochloride
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.20251205 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1289386-08-8
- Purity/Analytical Methods: >99.0%
1289386-08-8 / N,N-bis[(2-methylphenyl)methyl]-1-piperidin-3-ylmethanamine;hydrochloride
Basic Information
CAS
1289386-08-8
Multi CAS
No
Molecular Formula
C22H31ClN2
Molecular Weight
358.900000
Exact Mass
358.217577
SMILES
CC1=CC=CC=C1CN(CC2CCCNC2)CC3=CC=CC=C3C.Cl
InChI
InChI=1S/C22H30N2.ClH/c1-18-8-3-5-11-21(18)16-24(15-20-10-7-13-23-14-20)17-22-12-6-4-9-19(22)2;/h3-6,8-9,11-12,20,23H,7,10,13-17H2,1-2H3;1H
InChIKey
OWWKNYXSFMOSPT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
109.31
TPSA
15.27
LogP / Solubility
WLOGP
4.73
MLOGP
4.18
XLogP3
4.73
Consensus LogP
4.55
Log S (ESOL)
-5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.64
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-1.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
Methyl-piperidin-3-yl-(1-thiazol-2-yl-ethyl)-aMine hydrochloride
- CAS RN: 1289386-23-7
- Product Code: starshine_CAS1289386-23-7
- Purity/Analytical method: >99.0%
-
2-[(Methyl-piperidin-4-yl-aMino)-Methyl]-benzonitrile hydrochloride
- CAS RN: 1289386-29-3
- Product Code: SSC-036145
-
2-(2,5-Dichloro-benzyloxymethyl)-piperidine hydrochloride
- CAS RN: 1289386-42-0
- Product Code: starshine_CAS1289386-42-0
- Purity/Analytical method: >99.0%
-
5-Chloro-2-ethoxy-pyrimidine
- CAS RN: 1289386-43-1
- Product Code: starshine_CAS1289386-43-1
- Purity/Analytical method: >99.0%
-
1-(6-Bromo-pyridin-2-yl)-azetidine-3-carboxylic acid
- CAS RN: 1289386-69-1
- Product Code: SSC-036146
-
3-Chloro-6-ethoxymethyl-pyridazine
- CAS RN: 1289386-87-3
- Product Code: starshine_CAS1289386-87-3
- Purity/Analytical method: >99.0%
![CAS 1289386-29-3 2-[(Methyl-piperidin-4-yl-aMino)-Methyl]-benzonitrile hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62578862.gif)
