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CAS 1217629-55-4 (R)-1-Boc-3-(2-Aminoethyl)-Piperidine molecular structure lightbox
CAS RN: 1217629-55-4

(R)-1-Boc-3-(2-Aminoethyl)-Piperidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250531 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1217629-55-4
  • Purity/Analytical Methods: >99.0%
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1217629-55-4 / tert-butyl (3R)-3-(2-aminoethyl)piperidine-1-carboxylate

Standard CAS: 1217629-55-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1217629-55-4
Multi CAS
No
Molecular Formula
C12H24N2O2
Molecular Weight
228.330000
Exact Mass
228.183778
SMILES
CC(C)(C)OC(=O)N1CCC[C@@H](C1)CCN
InChI
InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-8-4-5-10(9-14)6-7-13/h10H,4-9,13H2,1-3H3/t10-/m1/s1
InChIKey
GYLAYRXNMUUXJS-SNVBAGLBSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.2
TPSA
55.56

LogP / Solubility

WLOGP
1.98
MLOGP
1.75
XLogP3
1.3
Consensus LogP
1.68
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
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)
-2.71

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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