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CAS 1156864-57-1 1-[5-Fluoro-2-(1-piperidyl)phenyl]ethanol molecular structure lightbox
CAS RN: 1156864-57-1

1-[5-Fluoro-2-(1-piperidyl)phenyl]ethanol

  • Product code: SSC-015472
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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: ≥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 1156864-57-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1156864-57-1 / 1-(5-fluoro-2-piperidin-1-ylphenyl)ethanol

1-[5-Fluoro-2-(1-piperidyl)phenyl]ethanol | 1-(5-Fluoro-2-(piperidin-1-yl)phenyl)ethanol | MFCD12186166

Standard CAS: 1156864-57-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1156864-57-1
Multi CAS
No
Molecular Formula
C13H18FNO
Molecular Weight
223.290000
Exact Mass
223.137242
SMILES
CC(C1=C(C=CC(=C1)F)N2CCCCC2)O
InChI
InChI=1S/C13H18FNO/c1-10(16)12-9-11(14)5-6-13(12)15-7-3-2-4-8-15/h5-6,9-10,16H,2-4,7-8H2,1H3
InChIKey
IKLAXQUYJJNIQD-UHFFFAOYSA-N
Synonyms
1-[5-Fluoro-2-(1-piperidyl)phenyl]ethanol 1-(5-Fluoro-2-(piperidin-1-yl)phenyl)ethanol MFCD12186166 AC3039 SY038682

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.1
TPSA
23.47

LogP / Solubility

WLOGP
2.87
MLOGP
2.53
XLogP3
2.5
Consensus LogP
2.63
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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)
-2.04

Drug-likeness / Medicinal Chemistry

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

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