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CAS 84176-77-2 1-benzyl-4-phenylpiperidine-4-methylamine molecular structure lightbox
CAS RN: 84176-77-2

1-benzyl-4-phenylpiperidine-4-methylamine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251115 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS84176-77-2
  • Purity/Analytical Methods: >99.0%
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84176-77-2 / (1-benzyl-4-phenylpiperidin-4-yl)methanamine

Standard CAS: 84176-77-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
84176-77-2
Multi CAS
Yes
Molecular Formula
C19H24N2
Molecular Weight
280.400000
Exact Mass
280.193949
InChI
InChI=1S/C19H24N2/c20-16-19(18-9-5-2-6-10-18)11-13-21(14-12-19)15-17-7-3-1-4-8-17/h1-10H,11-16,20H2
InChIKey
KNLXJOKXXMNECJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
88.13
TPSA
29.26

LogP / Solubility

WLOGP
3.18
MLOGP
2.81
XLogP3
3.1
Consensus LogP
3.03
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.6
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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