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CAS 1027511-67-6 1-Boc-2-propyl-piperazine molecular structure lightbox
CAS RN: 1027511-67-6

1-Boc-2-propyl-piperazine

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251029 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250801 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250919 250mg In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20250530 5g Out of stock Inquiry
  • Product code: starshine_CAS1027511-67-6
  • Purity/Analytical Methods: >99.0%
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1027511-67-6 / tert-butyl 2-propylpiperazine-1-carboxylate

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

Standard CAS: 1027511-67-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1027511-67-6
Multi CAS
Yes
Molecular Formula
C12H24N2O2
Molecular Weight
228.330000
Exact Mass
228.183778
SMILES
CCCC1CNCCN1C(=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
InChIKey
PYTGOQORCFQPSZ-UHFFFAOYSA-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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