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CAS 4960-10-5 1-(2-benzhydryloxyethyl)piperidine molecular structure lightbox
CAS RN: 4960-10-5

1-(2-benzhydryloxyethyl)piperidine

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250812 100mg / 250mg / 1g / 5g Confirm by inquiry Shandong Inquiry
  • Product code: starshine_CAS4960-10-5
  • Purity/Analytical Methods: >99.0%
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4960-10-5 / 1-(2-benzhydryloxyethyl)piperidine

Standard CAS: 4960-10-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4960-10-5
Multi CAS
No
Molecular Formula
C20H25NO
Molecular Weight
295.400000
Exact Mass
295.193614
InChI
InChI=1S/C20H25NO/c1-4-10-18(11-5-1)20(19-12-6-2-7-13-19)22-17-16-21-14-8-3-9-15-21/h1-2,4-7,10-13,20H,3,8-9,14-17H2
InChIKey
ZVWXNGJQZCPYLK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
90.97
TPSA
12.47

LogP / Solubility

WLOGP
4.28
MLOGP
3.78
XLogP3
4.2
Consensus LogP
4.09
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.85
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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