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CAS 1212252-88-4 (R)-1-Boc-2-propylpiperazine molecular structure lightbox
CAS RN: 1212252-88-4

(R)-1-Boc-2-propylpiperazine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260224 1g / 5g / 10g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1212252-88-4
  • Purity/Analytical Methods: >99.0%
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1212252-88-4 / tert-butyl (2R)-2-propylpiperazine-1-carboxylate

tert-Butyl 2-propylpiperazine-1-carboxylate | 1-Boc-2-propyl-piperazine | 1-Boc -2-propyl-piperazine

Standard CAS: 1212252-88-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1212252-88-4
Multi CAS
Yes
Molecular Formula
C12H24N2O2
Molecular Weight
228.330000
Exact Mass
228.183778
SMILES
CCC[C@@H]1CNCCN1C(=O)OC(C)(C)C
InChI
InChI=1S/C12H24N2O2/c1-5-6-10-9-13-7-8-14(10)11(15)16-12(2,3)4/h10,13H,5-9H2,1-4H3/t10-/m1/s1
InChIKey
PYTGOQORCFQPSZ-SNVBAGLBSA-N
Synonyms
tert-Butyl 2-propylpiperazine-1-carboxylate 1-Boc-2-propyl-piperazine 1-Boc -2-propyl-piperazine MFCD08273955 1-Piperazinecarboxylic acid, 2-propyl-, 1,1-dimethylethyl ester

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
64.51
TPSA
41.57

LogP / Solubility

WLOGP
2
MLOGP
1.76
XLogP3
1.8
Consensus LogP
1.85
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
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)
-2.7

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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