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CAS 21091-61-2 2-(4-PHENYLPIPERAZIN-1-YL)ETHANAMINE molecular structure lightbox
CAS RN: 21091-61-2

2-(4-PHENYLPIPERAZIN-1-YL)ETHANAMINE

  • Product code: SSC-100562
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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: 1g
  • 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 21091-61-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

21091-61-2 / 2-(4-phenylpiperazin-1-yl)ethanamine

Standard CAS: 21091-61-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21091-61-2
Multi CAS
No
Molecular Formula
C12H19N3
Molecular Weight
205.300000
Exact Mass
205.157898
SMILES
C1CN(CCN1CCN)C2=CC=CC=C2
InChI
InChI=1S/C12H19N3/c13-6-7-14-8-10-15(11-9-14)12-4-2-1-3-5-12/h1-5H,6-11,13H2
InChIKey
JQIZYQKCPLKROQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.15
TPSA
32.5

LogP / Solubility

WLOGP
0.77
MLOGP
0.68
XLogP3
0.9
Consensus LogP
0.78
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
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)
-3.43

Drug-likeness / Medicinal Chemistry

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

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