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CAS 184044-09-5 PIPERIDIN-2-YLMETHYL-CARBAMIC ACID BENZYL ESTER molecular structure lightbox
CAS RN: 184044-09-5

PIPERIDIN-2-YLMETHYL-CARBAMIC ACID BENZYL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251115 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS184044-09-5
  • Purity/Analytical Methods: >99.0%
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184044-09-5 / benzyl N-(piperidin-2-ylmethyl)carbamate

Standard CAS: 184044-09-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
184044-09-5
Multi CAS
No
Molecular Formula
C14H20N2O2
Molecular Weight
248.320000
Exact Mass
248.152478
SMILES
C1CCNC(C1)CNC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H20N2O2/c17-14(16-10-13-8-4-5-9-15-13)18-11-12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2,(H,16,17)
InChIKey
BHVZGRBXEXJUCP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
70.27
TPSA
50.36

LogP / Solubility

WLOGP
2.05
MLOGP
1.81
XLogP3
1.9
Consensus LogP
1.92
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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