[email protected]
CAS 1052713-48-0 tert-butyl N-[(3S,4S)-4-fluoropiperidin-3-yl]carbamate molecular structure lightbox
CAS RN: 1052713-48-0

tert-butyl N-[(3S,4S)-4-fluoropiperidin-3-yl]carbamate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250919 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-007022
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: 1g
  • 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 1052713-48-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1052713-48-0 / tert-butyl N-[(3S,4S)-4-fluoropiperidin-3-yl]carbamate

tert-Butyl ((3S,4S)-4-fluoropiperidin-3-yl)carbamate | tert-butyl [(3S,4S)-4-fluoropiperidin-3-yl]carbamate | 1,1-Dimethylethyl N-[(3S,4S)-4-fluoro-3-piperidinyl]carbamate

Standard CAS: 1052713-48-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1052713-48-0
Multi CAS
Yes
Molecular Formula
C10H19FN2O2
Molecular Weight
218.270000
Exact Mass
218.143056
SMILES
CC(C)(C)OC(=O)N[C@H]1CNCC[C@@H]1F
InChI
InChI=1S/C10H19FN2O2/c1-10(2,3)15-9(14)13-8-6-12-5-4-7(8)11/h7-8,12H,4-6H2,1-3H3,(H,13,14)/t7-,8-/m0/s1
InChIKey
PHKRFWRGEVHCAT-YUMQZZPRSA-N
Synonyms
tert-Butyl ((3S,4S)-4-fluoropiperidin-3-yl)carbamate tert-butyl [(3S,4S)-4-fluoropiperidin-3-yl]carbamate 1,1-Dimethylethyl N-[(3S,4S)-4-fluoro-3-piperidinyl]carbamate 1,1-Dimethylethyl N-((3S,4S)-4-fluoro-3-piperidinyl)carbamate RefChem:891521

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.54
TPSA
50.36

LogP / Solubility

WLOGP
1.21
MLOGP
1.07
XLogP3
1.1
Consensus LogP
1.13
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us