CAS RN: 2375193-06-7

3,3-difluoro-1-propylpiperidin-4-ol hydrochloride

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Batchno.20250119 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS2375193-06-7
  • Purity/Analytical Methods: >99.0%
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2375193-06-7 / 3,3-difluoro-1-propylpiperidin-4-ol;hydrochloride

Standard CAS: 2375193-06-7 Multi CAS: No

Basic Information

CAS
2375193-06-7
Multi CAS
No
Molecular Formula
C8H16ClF2NO
Molecular Weight
215.670000
Exact Mass
215.088848
SMILES
CCCN1CCC(C(C1)(F)F)O.Cl
InChI
InChI=1S/C8H15F2NO.ClH/c1-2-4-11-5-3-7(12)8(9,10)6-11;/h7,12H,2-6H2,1H3;1H
InChIKey
MBENLOZMLHJFIQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.55
TPSA
23.47

LogP / Solubility

WLOGP
1.52
MLOGP
1.34
XLogP3
1.52
Consensus LogP
1.46
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.96

Drug-likeness / Medicinal Chemistry

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

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