[email protected]
CAS 170364-89-3 4-(1H-Indol-1-yl)-1-piperidinecarboxylic acid tert-butyl ester molecular structure lightbox
CAS RN: 170364-89-3

4-(1H-Indol-1-yl)-1-piperidinecarboxylic acid tert-butyl ester

Product Availability

Choose a grade to view its available package options.

3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250508 1g In stock Inquiry
Batchno.20250311 250mg In stock Inquiry
Batchno.20260120 5g Out of stock Inquiry
  • Product code: SSC-074919
GET A QUOTE
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: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 170364-89-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

170364-89-3 / tert-butyl 4-indol-1-ylpiperidine-1-carboxylate

Standard CAS: 170364-89-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
170364-89-3
Multi CAS
No
Molecular Formula
C18H24N2O2
Molecular Weight
300.400000
Exact Mass
300.183778
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)N2C=CC3=CC=CC=C32
InChI
InChI=1S/C18H24N2O2/c1-18(2,3)22-17(21)19-11-9-15(10-12-19)20-13-8-14-6-4-5-7-16(14)20/h4-8,13,15H,9-12H2,1-3H3
InChIKey
VJCXACABXTXLEE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
88.02
TPSA
34.47

LogP / Solubility

WLOGP
4.21
MLOGP
3.72
XLogP3
3.3
Consensus LogP
3.74
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.23
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)
-1.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us