CAS RN: 387827-19-2
4-(3-AMINO-PHENYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
- Product code: SSC-146392
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
387827-19-2 / tert-butyl 4-(3-aminophenyl)piperidine-1-carboxylate
Basic Information
CAS
387827-19-2
Multi CAS
No
Molecular Formula
C16H24N2O2
Molecular Weight
276.370000
Exact Mass
276.183778
InChI
InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-9-7-12(8-10-18)13-5-4-6-14(17)11-13/h4-6,11-12H,7-10,17H2,1-3H3
InChIKey
INZSWUJHGMIAJM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
80.64
TPSA
55.56
LogP / Solubility
WLOGP
3.38
MLOGP
2.99
XLogP3
2.7
Consensus LogP
3.02
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
N-(3-(piperidin-4-yl)phenyl)acetamide hydrochloride
- CAS RN: 387827-25-0
- Product Code: SSC-146393
-
2-AMINO-2-(3,5-DIFLUOROPHENYL)ETHAN-1-OL
- CAS RN: 387827-37-4
- Product Code: starshine_CAS387827-37-4
- Purity/Analytical method: >99.0%
-
Tert-Butyl(1-(Hydroxymethyl)cyclopropyl)methylcarbamate
- CAS RN: 387845-13-8
- Product Code: SSC-146399
-
Cyclopropanemethanol, 1-(1-pyrrolidinyl)- (9CI)
- CAS RN: 387845-17-2
- Product Code: SSC-146400
-
ETHYL 2-((TETRAHYDRO-2H-PYRAN-2-YL)OXY)CYCLOPROPANE-1-CARBOXYLATE
- CAS RN: 387845-21-8
- Product Code: starshine_CAS387845-21-8
-
Cyclopropanamine, 2-[(tetrahydro-2H-pyran-2-yl)oxy]- (9CI)
- CAS RN: 387845-23-0
- Product Code: SSC-146401
![CAS 387845-23-0 Cyclopropanamine, 2-[(tetrahydro-2H-pyran-2-yl)oxy]- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/387845-23-0.gif)