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CAS 166955-02-8 (4-Hydroxy-piperidin-1-yl)-acetic acid tert-butyl ester molecular structure lightbox
CAS RN: 166955-02-8

(4-Hydroxy-piperidin-1-yl)-acetic acid tert-butyl ester

  • Product code: SSC-072842
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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, 5g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 166955-02-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Beijing Inquiry

166955-02-8 / tert-butyl 2-(4-hydroxypiperidin-1-yl)acetate

Standard CAS: 166955-02-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
166955-02-8
Multi CAS
No
Molecular Formula
C11H21NO3
Molecular Weight
215.290000
Exact Mass
215.152144
SMILES
CC(C)(C)OC(=O)CN1CCC(CC1)O
InChI
InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)8-12-6-4-9(13)5-7-12/h9,13H,4-8H2,1-3H3
InChIKey
PJFODMSLPDZJRR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.53
TPSA
49.77

LogP / Solubility

WLOGP
0.78
MLOGP
0.69
XLogP3
1
Consensus LogP
0.82
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
Class (SILICOS-IT)
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)
-3.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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