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CAS 80710-25-4 1-Phenylpiperidin-3-ol molecular structure lightbox
CAS RN: 80710-25-4

1-Phenylpiperidin-3-ol

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Batchno.20250127 100mg Out of stock Inquiry
  • Product code: starshine_CAS80710-25-4
  • Purity/Analytical Methods: >99.0%
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80710-25-4 / 1-phenylpiperidin-3-ol

Standard CAS: 80710-25-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
80710-25-4
Multi CAS
Yes
Molecular Formula
C11H15NO
Molecular Weight
177.240000
Exact Mass
177.115364
InChI
InChI=1S/C11H15NO/c13-11-7-4-8-12(9-11)10-5-2-1-3-6-10/h1-3,5-6,11,13H,4,7-9H2
InChIKey
VPUSWNUKNDRGNW-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
2
H-bond donors
1
Molar refractivity
53.9
TPSA
23.47

LogP / Solubility

WLOGP
1.65
MLOGP
1.45
XLogP3
1.9
Consensus LogP
1.67
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
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)
-2.63

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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