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CAS 811841-86-8 3-AMINO-1-N-FMOC-PIPERIDINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 811841-86-8

3-AMINO-1-N-FMOC-PIPERIDINE HYDROCHLORIDE

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250416 1g In stock Inquiry
Batchno.20250115 250mg In stock Inquiry
Batchno.20251121 50mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250108 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS811841-86-8
  • Purity/Analytical Methods: >99.0%
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811841-86-8 / 9H-fluoren-9-ylmethyl 3-aminopiperidine-1-carboxylate;hydrochloride

Standard CAS: 811841-86-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
811841-86-8
Multi CAS
Yes
Molecular Formula
C20H23CLN2O2
Molecular Weight
358.900000
Exact Mass
358.144806
InChI
InChI=1S/C20H22N2O2.ClH/c21-14-6-5-11-22(12-14)20(23)24-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19;/h1-4,7-10,14,19H,5-6,11-13,21H2;1H
InChIKey
LPSUTMIBYMBPSC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
101.1
TPSA
55.56

LogP / Solubility

WLOGP
3.78
MLOGP
3.35
XLogP3
3.78
Consensus LogP
3.64
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.37
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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