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CAS 1187468-21-8 (S)-2-(4-FLUOROPHENYL)PIPERIDINE molecular structure lightbox
CAS RN: 1187468-21-8

(S)-2-(4-FLUOROPHENYL)PIPERIDINE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251025 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1187468-21-8
  • Purity/Analytical Methods: >99.0%
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1187468-21-8 / (2S)-2-(4-fluorophenyl)piperidine

2-(4-fluorophenyl)piperidine | DTXSID50395039 | RefChem:84410

Standard CAS: 1187468-21-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1187468-21-8
Multi CAS
Yes
Molecular Formula
C11H14FN
Molecular Weight
179.230000
Exact Mass
179.111028
SMILES
C1CCN[C@@H](C1)C2=CC=C(C=C2)F
InChI
InChI=1S/C11H14FN/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h4-7,11,13H,1-3,8H2/t11-/m0/s1
InChIKey
IAQQDIGGISSSQO-NSHDSACASA-N
Synonyms
2-(4-fluorophenyl)piperidine DTXSID50395039 RefChem:84410 DTXCID10345898 838-048-7

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
50.99
TPSA
12.03

LogP / Solubility

WLOGP
2.64
MLOGP
2.32
XLogP3
2.3
Consensus LogP
2.42
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.14
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)
-1.94

Drug-likeness / Medicinal Chemistry

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

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