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CAS 810680-60-5 1-(3-AZETIDINYL)-4-PIPERIDINOL DIHYDROCHLORIDE molecular structure lightbox
CAS RN: 810680-60-5

1-(3-AZETIDINYL)-4-PIPERIDINOL DIHYDROCHLORIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251227 1g Out of stock 5-7 business days Inquiry
  • Product code: LINA926609
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810680-60-5 / 1-(azetidin-3-yl)piperidin-4-ol;dihydrochloride

Standard CAS: 810680-60-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
810680-60-5
Multi CAS
Yes
Molecular Formula
C8H18CL2N2O
Molecular Weight
229.140000
Exact Mass
228.079619
InChI
InChI=1S/C8H16N2O.2ClH/c11-8-1-3-10(4-2-8)7-5-9-6-7;;/h7-9,11H,1-6H2;2*1H
InChIKey
QVCVWWIRXHQAAJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
57.97
TPSA
35.5

LogP / Solubility

WLOGP
0.26
MLOGP
0.23
XLogP3
0.26
Consensus LogP
0.25
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
Class (SILICOS-IT)
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)
-3.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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