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CAS 173966-31-9 2-Piperazinemethanol,4-methyl-,(R)-(9CI) molecular structure lightbox
CAS RN: 173966-31-9

2-Piperazinemethanol,4-methyl-,(R)-(9CI)

  • Product code: SSC-076345
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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: 0.25g
  • Available purity: ≥95%
  • 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 173966-31-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

173966-31-9 / [(2R)-4-methylpiperazin-2-yl]methanol

Standard CAS: 173966-31-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
173966-31-9
Multi CAS
No
Molecular Formula
C6H14N2O
Molecular Weight
130.190000
Exact Mass
130.110613
SMILES
CN1CCN[C@H](C1)CO
InChI
InChI=1S/C6H14N2O/c1-8-3-2-7-6(4-8)5-9/h6-7,9H,2-5H2,1H3/t6-/m1/s1
InChIKey
JVIKJOXETSHPGJ-ZCFIWIBFSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
36.37
TPSA
35.5

LogP / Solubility

WLOGP
-1.12
MLOGP
-0.99
XLogP3
-1
Consensus LogP
-1.04
Log S (ESOL)
0.12
Class (ESOL)
Highly soluble
Log S (Ali)
0.18
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.3
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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