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CAS 275815-80-0 PIPERIDINE, 3-[(4-FLUOROPHENYL)METHYL]-, (3S)- molecular structure lightbox
CAS RN: 275815-80-0

PIPERIDINE, 3-[(4-FLUOROPHENYL)METHYL]-, (3S)-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251209 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS275815-80-0
  • Purity/Analytical Methods: >99.0%
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275815-80-0 / 3-[(4-fluorophenyl)methyl]piperidine

Standard CAS: 275815-80-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
275815-80-0
Multi CAS
No
Molecular Formula
C12H16FN
Molecular Weight
193.260000
Exact Mass
193.126678
SMILES
C1CC(CNC1)CC2=CC=C(C=C2)F
InChI
InChI=1S/C12H16FN/c13-12-5-3-10(4-6-12)8-11-2-1-7-14-9-11/h3-6,11,14H,1-2,7-9H2
InChIKey
WATWKPHWUDHKGA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.7
TPSA
12.03

LogP / Solubility

WLOGP
2.37
MLOGP
2.08
XLogP3
2.6
Consensus LogP
2.35
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
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)
-2.22

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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