CAS RN: 1334472-24-0
3-fluoro-4-phenylpiperidine
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260224 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINF927185
1334472-24-0 / 3-fluoro-4-phenylpiperidine
Basic Information
CAS
1334472-24-0
Multi CAS
No
Molecular Formula
C11H14FN
Molecular Weight
179.230000
Exact Mass
179.111028
SMILES
C1CNCC(C1C2=CC=CC=C2)F
InChI
InChI=1S/C11H14FN/c12-11-8-13-7-6-10(11)9-4-2-1-3-5-9/h1-5,10-11,13H,6-8H2
InChIKey
RTERFKJZGYQKJT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.57
TPSA
12.03
LogP / Solubility
WLOGP
2.1
MLOGP
1.85
XLogP3
2.1
Consensus LogP
2.02
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
Class (SILICOS-IT)
Moderately 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)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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