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CAS 1549812-73-8 tert-butyl N-[(3S,4R)-4-hydroxypiperidin-3-yl]carbamate molecular structure lightbox
CAS RN: 1549812-73-8

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

  • Product code: SSC-064283
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ＞97%
  • 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 1549812-73-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Hong Kong Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

1549812-73-8 / tert-butyl N-[(3S,4R)-4-hydroxypiperidin-3-yl]carbamate

Standard CAS: 1549812-73-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1549812-73-8
Multi CAS
No
Molecular Formula
C10H20N2O3
Molecular Weight
216.280000
Exact Mass
216.147393
SMILES
CC(C)(C)OC(=O)N[C@H]1CNCC[C@H]1O
InChI
InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-7-6-11-5-4-8(7)13/h7-8,11,13H,4-6H2,1-3H3,(H,12,14)/t7-,8+/m0/s1
InChIKey
REUNVCLBHFFYFH-JGVFFNPUSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
56.65
TPSA
70.59

LogP / Solubility

WLOGP
0.23
MLOGP
0.21
XLogP3
0.1
Consensus LogP
0.18
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
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)
-3.87

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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