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CAS 864441-92-9 Piperidine, 4-(3-methyl-1-azetidinyl)-, trihydrochloride molecular structure lightbox
CAS RN: 864441-92-9

Piperidine, 4-(3-methyl-1-azetidinyl)-, trihydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260625 200mg Out of stock 5-7 business days Inquiry
  • Product code: LINP926630
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864441-92-9 / 4-(3-methylazetidin-1-yl)piperidine;trihydrochloride

Standard CAS: 864441-92-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
864441-92-9
Multi CAS
Yes
Molecular Formula
C9H21CL3N2
Molecular Weight
263.600000
Exact Mass
262.077032
InChI
InChI=1S/C9H18N2.3ClH/c1-8-6-11(7-8)9-2-4-10-5-3-9;;;/h8-10H,2-7H2,1H3;3*1H
InChIKey
YCFPQXREFXMBCA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
68.37
TPSA
15.27

LogP / Solubility

WLOGP
1.96
MLOGP
1.73
XLogP3
1.96
Consensus LogP
1.88
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly 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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.94

Drug-likeness / Medicinal Chemistry

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

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