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CAS 1180132-17-5 5-((4-Ethylpiperazin-1-yl)methyl)pyridin-2-amine molecular structure lightbox
CAS RN: 1180132-17-5

5-((4-Ethylpiperazin-1-yl)methyl)pyridin-2-amine

  • Product code: SSC-017889
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 10g, 0.25g, 1g, 5g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1180132-17-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 3 In Stock Shenzhen Inquiry
0.25g ≥95% 2 In Stock Hong Kong Inquiry
1g ≥95% 2 In Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

1180132-17-5 / 5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-amine

5-[(4-ethyl-1-piperazinyl)methyl]-2-Pyridinamine | 5-((4-Ethyl-1-piperazinyl)methyl)-2-pyridinamine | RefChem:528699

Standard CAS: 1180132-17-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1180132-17-5
Multi CAS
No
Molecular Formula
C12H20N4
Molecular Weight
220.310000
Exact Mass
220.168797
SMILES
CCN1CCN(CC1)CC2=CN=C(C=C2)N
InChI
InChI=1S/C12H20N4/c1-2-15-5-7-16(8-6-15)10-11-3-4-12(13)14-9-11/h3-4,9H,2,5-8,10H2,1H3,(H2,13,14)
InChIKey
MNJBMPQTXVZMFZ-UHFFFAOYSA-N
Synonyms
5-[(4-ethyl-1-piperazinyl)methyl]-2-Pyridinamine 5-((4-Ethyl-1-piperazinyl)methyl)-2-pyridinamine RefChem:528699 5-((4-ethylpiperazin-1-yl)methyl)pyridin-2-amine 5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-amine

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
66.04
TPSA
45.39

LogP / Solubility

WLOGP
0.8
MLOGP
0.71
XLogP3
0.5
Consensus LogP
0.67
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.12
Class (SILICOS-IT)
Moderately 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)
-3.5

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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