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CAS 1022128-80-8 1-(3-Aminophenyl)piperazin-2-one molecular structure lightbox
CAS RN: 1022128-80-8

1-(3-Aminophenyl)piperazin-2-one

  • Product code: SSC-003499
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1022128-80-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 0 Out of Stock Shanghai Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry
5g >95% 0 Out of Stock Shenzhen Inquiry

1022128-80-8 / 1-(3-aminophenyl)piperazin-2-one

1-(3-AMINOPHENYL)PIPERAZIN-2-ONE | MFCD10568158 | 2-Piperazinone, 1-(3-aminophenyl)-

Standard CAS: 1022128-80-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1022128-80-8
Multi CAS
Yes
Molecular Formula
C10H13N3O
Molecular Weight
191.230000
Exact Mass
191.105862
SMILES
C1CN(C(=O)CN1)C2=CC=CC(=C2)N
InChI
InChI=1S/C10H13N3O/c11-8-2-1-3-9(6-8)13-5-4-12-7-10(13)14/h1-3,6,12H,4-5,7,11H2
InChIKey
PGUYPEBXXBSLCE-UHFFFAOYSA-N
Synonyms
1-(3-AMINOPHENYL)PIPERAZIN-2-ONE MFCD10568158 2-Piperazinone, 1-(3-aminophenyl)- DTXSID30693924 AKOS006302905

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
56.08
TPSA
58.36

LogP / Solubility

WLOGP
0.2
MLOGP
0.18
Consensus LogP
0.13
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.19
Class (SILICOS-IT)
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)
-3.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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