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CAS 1935325-64-6 1-Boc-2-(piperidin-4-yl)propan-2-ol molecular structure lightbox
CAS RN: 1935325-64-6

1-Boc-2-(piperidin-4-yl)propan-2-ol

  • Product code: SSC-091076
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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: 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 1935325-64-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

1935325-64-6 / tert-butyl 4-(2-hydroxypropan-2-yl)piperidine-1-carboxylate

Standard CAS: 1935325-64-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1935325-64-6
Multi CAS
No
Molecular Formula
C13H25NO3
Molecular Weight
243.340000
Exact Mass
243.183444
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(C)(C)O
InChI
InChI=1S/C13H25NO3/c1-12(2,3)17-11(15)14-8-6-10(7-9-14)13(4,5)16/h10,16H,6-9H2,1-5H3
InChIKey
XJAZPQRQWDJGRT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.83
TPSA
49.77

LogP / Solubility

WLOGP
2.4
MLOGP
2.12
XLogP3
1.8
Consensus LogP
2.11
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
Class (SILICOS-IT)
Poorly 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)
-2.5

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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