CAS RN: 1171197-20-8
(S)-tert-butyl 3-(4-aMinophenyl)piperidine-1-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260210 | 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-016974
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1171197-20-8 / tert-butyl (3S)-3-(4-aminophenyl)piperidine-1-carboxylate
(R)-tert-butyl 3-(4-aminophenyl)piperidine-1-carboxylate | TERT-BUTYL (3R)-3-(4-AMINOPHENYL)PIPERIDINE-1-CARBOXYLATE | MFCD14705168
Basic Information
CAS
1171197-20-8
Multi CAS
Yes
Molecular Formula
C16H24N2O2
Molecular Weight
276.370000
Exact Mass
276.183778
SMILES
CC(C)(C)OC(=O)N1CCC[C@H](C1)C2=CC=C(C=C2)N
InChI
InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-4-5-13(11-18)12-6-8-14(17)9-7-12/h6-9,13H,4-5,10-11,17H2,1-3H3/t13-/m1/s1
InChIKey
SWUANUQBXJNXGP-CYBMUJFWSA-N
Synonyms
(R)-tert-butyl 3-(4-aminophenyl)piperidine-1-carboxylate
TERT-BUTYL (3R)-3-(4-AMINOPHENYL)PIPERIDINE-1-CARBOXYLATE
MFCD14705168
(3R)-3-(4-Aminophenyl)-1-Piperidinecarboxylic acid tert-butyl ester
Niraparib Impurity 21
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
2
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