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CAS 478828-62-5 1-BENZYL-3-N-BOC-AMINOPIPERIDINE molecular structure lightbox
CAS RN: 478828-62-5

1-BENZYL-3-N-BOC-AMINOPIPERIDINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250507 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS478828-62-5
  • Purity/Analytical Methods: >99.0%
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478828-62-5 / tert-butyl N-(1-benzylpiperidin-3-yl)carbamate

Standard CAS: 478828-62-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
478828-62-5
Multi CAS
No
Molecular Formula
C17H26N2O2
Molecular Weight
290.400000
Exact Mass
290.199428
InChI
InChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)18-15-10-7-11-19(13-15)12-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,18,20)
InChIKey
IJLXSEZUQISPRL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
84.11
TPSA
41.57

LogP / Solubility

WLOGP
3.18
MLOGP
2.81
XLogP3
3
Consensus LogP
3
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
Class (SILICOS-IT)
Slightly 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)
-2.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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