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CAS 1185107-71-4 4-[(4-Fluorobenzyl)oxy]piperidine hydrochloride molecular structure lightbox
CAS RN: 1185107-71-4

4-[(4-Fluorobenzyl)oxy]piperidine hydrochloride

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Batchno.20250810 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1185107-71-4
  • Purity/Analytical Methods: >99.0%
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1185107-71-4 / 4-[(4-fluorophenyl)methoxy]piperidine;hydrochloride

4-[(4-fluorophenyl)methoxy]piperidine hydrochloride | 4-((4-fluorophenyl)methoxy)piperidine hydrochloride | RefChem:509490

Standard CAS: 1185107-71-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1185107-71-4
Multi CAS
No
Molecular Formula
C12H17ClFNO
Molecular Weight
245.720000
Exact Mass
245.098270
SMILES
C1CNCCC1OCC2=CC=C(C=C2)F.Cl
InChI
InChI=1S/C12H16FNO.ClH/c13-11-3-1-10(2-4-11)9-15-12-5-7-14-8-6-12;/h1-4,12,14H,5-9H2;1H
InChIKey
XRKHDSHUDCVEFK-UHFFFAOYSA-N
Synonyms
4-[(4-fluorophenyl)methoxy]piperidine hydrochloride 4-((4-fluorophenyl)methoxy)piperidine hydrochloride RefChem:509490 844-787-6 4-((4-Fluorobenzyl)oxy)piperidine hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.33
TPSA
21.26

LogP / Solubility

WLOGP
2.52
MLOGP
2.22
XLogP3
2.52
Consensus LogP
2.42
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
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)
-2.43

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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