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CAS 1220019-87-3 1-(5-Bromo-4-methyl-2-pyridinyl)-4-piperidinol molecular structure lightbox
CAS RN: 1220019-87-3

1-(5-Bromo-4-methyl-2-pyridinyl)-4-piperidinol

  • Product code: SSC-024919
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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: 1g
  • 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 1220019-87-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1220019-87-3 / 1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-ol

Standard CAS: 1220019-87-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1220019-87-3
Multi CAS
No
Molecular Formula
C11H15BrN2O
Molecular Weight
271.150000
Exact Mass
270.036780
SMILES
CC1=CC(=NC=C1Br)N2CCC(CC2)O
InChI
InChI=1S/C11H15BrN2O/c1-8-6-11(13-7-10(8)12)14-4-2-9(15)3-5-14/h6-7,9,15H,2-5H2,1H3
InChIKey
PKVBEYLGLJGECA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.13
TPSA
36.36

LogP / Solubility

WLOGP
2.11
MLOGP
1.87
XLogP3
2.2
Consensus LogP
2.06
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.87

Drug-likeness / Medicinal Chemistry

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

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