CAS RN: 2460740-52-5
1-Piperidinecarboxylic acid, 3-fluoro-5-hydroxy-, 1,1-dimethylethyl ester, (3S,5R)-
- Product code: SSC-119462
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: >97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
2460740-52-5 / tert-butyl 3-fluoro-5-hydroxypiperidine-1-carboxylate
Basic Information
CAS
2460740-52-5
Multi CAS
No
Molecular Formula
C10H18FNO3
Molecular Weight
219.250000
Exact Mass
219.127072
SMILES
CC(C)(C)OC(=O)N1CC(CC(C1)F)O
InChI
InChI=1S/C10H18FNO3/c1-10(2,3)15-9(14)12-5-7(11)4-8(13)6-12/h7-8,13H,4-6H2,1-3H3
InChIKey
WINOHIISMKZAHH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.33
TPSA
49.77
LogP / Solubility
WLOGP
1.33
MLOGP
1.17
XLogP3
1
Consensus LogP
1.17
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
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)
-3.12
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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