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CAS 1209781-11-2 tert-butyl 3-(aMinoMethyl)-3-fluoropiperidine-1-carboxylate molecular structure lightbox
CAS RN: 1209781-11-2

tert-butyl 3-(aMinoMethyl)-3-fluoropiperidine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260610 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-022312
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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
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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 1209781-11-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1209781-11-2 / tert-butyl 3-fluoro-3-(hydroxymethyl)piperidine-1-carboxylate

tert-butyl 3-fluoro-3-(hydroxymethyl)piperidine-1-carboxylate | 1-BOC-3-FLUOROPIPERIDINE-3-METHANOL | MFCD16250809

Standard CAS: 1209781-11-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1209781-11-2
Multi CAS
Yes
Molecular Formula
C11H20FNO3
Molecular Weight
233.280000
Exact Mass
233.142722
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)(CO)F
InChI
InChI=1S/C11H20FNO3/c1-10(2,3)16-9(15)13-6-4-5-11(12,7-13)8-14/h14H,4-8H2,1-3H3
InChIKey
QBQOPNYILDXCBJ-UHFFFAOYSA-N
Synonyms
tert-butyl 3-fluoro-3-(hydroxymethyl)piperidine-1-carboxylate 1-BOC-3-FLUOROPIPERIDINE-3-METHANOL MFCD16250809 1-BOC-3-FLUORO-3-(HYDROXYMETHYL)PIPERIDINE 3-FLUORO-3-HYDROXYMETHYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.97
TPSA
49.77

LogP / Solubility

WLOGP
1.72
MLOGP
1.52
XLogP3
1.1
Consensus LogP
1.45
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
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)
-2.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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