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CAS 1610418-19-3 (3S,4R)-tert-Butyl 3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 1610418-19-3

(3S,4R)-tert-Butyl 3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate

  • Product code: SSC-068790
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1610418-19-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

1610418-19-3 / tert-butyl (3S,4R)-3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate

Standard CAS: 1610418-19-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1610418-19-3
Multi CAS
No
Molecular Formula
C11H20FNO3
Molecular Weight
233.280000
Exact Mass
233.142722
SMILES
CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](C1)F)CO
InChI
InChI=1S/C11H20FNO3/c1-11(2,3)16-10(15)13-5-4-8(7-14)9(12)6-13/h8-9,14H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKey
UIACYDBUYRFVMD-RKDXNWHRSA-N

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
57.9
TPSA
49.77

LogP / Solubility

WLOGP
1.57
MLOGP
1.39
XLogP3
1.2
Consensus LogP
1.39
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
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)
-3.03

Drug-likeness / Medicinal Chemistry

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

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