[email protected]
CAS 1049677-53-3 tert-butyl 4-(1H-indol-5-yl)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 1049677-53-3

tert-butyl 4-(1H-indol-5-yl)piperidine-1-carboxylate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251127 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1049677-53-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1049677-53-3 / tert-butyl 4-(1H-indol-5-yl)piperidine-1-carboxylate

tert-butyl 4-(1H-indol-5-yl)piperidine-1-carboxylate | 1-Boc-4-(Indol-5-yl)piperidine | MFCD11053565

Standard CAS: 1049677-53-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1049677-53-3
Multi CAS
No
Molecular Formula
C18H24N2O2
Molecular Weight
300.400000
Exact Mass
300.183778
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=CC3=C(C=C2)NC=C3
InChI
InChI=1S/C18H24N2O2/c1-18(2,3)22-17(21)20-10-7-13(8-11-20)14-4-5-16-15(12-14)6-9-19-16/h4-6,9,12-13,19H,7-8,10-11H2,1-3H3
InChIKey
WAFRBZMKFUODDC-UHFFFAOYSA-N
Synonyms
tert-butyl 4-(1H-indol-5-yl)piperidine-1-carboxylate 1-Boc-4-(Indol-5-yl)piperidine MFCD11053565 SCHEMBL19839980 AKOS015863255

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
88.08
TPSA
45.33

LogP / Solubility

WLOGP
4.28
MLOGP
3.78
XLogP3
3.5
Consensus LogP
3.85
Log S (ESOL)
-4.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.29
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)
-1.51

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