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CAS 1217443-56-5 R-1-N-BOC-2-ETHYL-PIPERAZINE-HCl molecular structure lightbox
CAS RN: 1217443-56-5

R-1-N-BOC-2-ETHYL-PIPERAZINE-HCl

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250724 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1217443-56-5
  • Purity/Analytical Methods: >99.0%
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1217443-56-5 / tert-butyl (2R)-2-ethylpiperazine-1-carboxylate;hydrochloride

Standard CAS: 1217443-56-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1217443-56-5
Multi CAS
No
Molecular Formula
C11H23ClN2O2
Molecular Weight
250.760000
Exact Mass
250.144806
SMILES
CC[C@@H]1CNCCN1C(=O)OC(C)(C)C.Cl
InChI
InChI=1S/C11H22N2O2.ClH/c1-5-9-8-12-6-7-13(9)10(14)15-11(2,3)4;/h9,12H,5-8H2,1-4H3;1H/t9-;/m1./s1
InChIKey
UTFFBNCKEZSWAK-SBSPUUFOSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.14
TPSA
41.57

LogP / Solubility

WLOGP
2.03
MLOGP
1.79
XLogP3
2.03
Consensus LogP
1.95
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.09
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.81

Drug-likeness / Medicinal Chemistry

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

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