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CAS 1296224-87-7 [1-(4-Bromophenyl)-piperidin-4-yl]-methanol molecular structure lightbox
CAS RN: 1296224-87-7

[1-(4-Bromophenyl)-piperidin-4-yl]-methanol

  • Product code: SSC-036550
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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 1296224-87-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1296224-87-7 / [1-(4-bromophenyl)piperidin-4-yl]methanol

Standard CAS: 1296224-87-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1296224-87-7
Multi CAS
No
Molecular Formula
C12H16BrNO
Molecular Weight
270.170000
Exact Mass
269.041530
SMILES
C1CN(CCC1CO)C2=CC=C(C=C2)Br
InChI
InChI=1S/C12H16BrNO/c13-11-1-3-12(4-2-11)14-7-5-10(9-15)6-8-14/h1-4,10,15H,5-9H2
InChIKey
XQNNBADOYYSJSO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
66.16
TPSA
23.47

LogP / Solubility

WLOGP
2.66
MLOGP
2.35
XLogP3
2.8
Consensus LogP
2.6
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
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)
-2.48

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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