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CAS 14549-59-8 4-(4-Methyl-1-piperazinyl)-3-pyridinamine molecular structure lightbox
CAS RN: 14549-59-8

4-(4-Methyl-1-piperazinyl)-3-pyridinamine

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Batchno.20250325 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS14549-59-8
  • Purity/Analytical Methods: >99.0%
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14549-59-8 / 4-(4-methylpiperazin-1-yl)pyridin-3-amine

Standard CAS: 14549-59-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
14549-59-8
Multi CAS
No
Molecular Formula
C10H16N4
Molecular Weight
192.260000
Exact Mass
192.137497
SMILES
CN1CCN(CC1)C2=C(C=NC=C2)N
InChI
InChI=1S/C10H16N4/c1-13-4-6-14(7-5-13)10-2-3-12-8-9(10)11/h2-3,8H,4-7,11H2,1H3
InChIKey
UAJACUSQLFALEQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.36
TPSA
45.39

LogP / Solubility

WLOGP
0.42
MLOGP
0.36
XLogP3
0.1
Consensus LogP
0.29
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
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)
-3.6

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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