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CAS 1501149-78-5 4-Piperidinemethanamine, 4-(2-pyridinyl)- molecular structure lightbox
CAS RN: 1501149-78-5

4-Piperidinemethanamine, 4-(2-pyridinyl)-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250914 50mg / 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1501149-78-5
  • Purity/Analytical Methods: >99.0%
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1501149-78-5 / (4-pyridin-2-ylpiperidin-4-yl)methanamine

Standard CAS: 1501149-78-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1501149-78-5
Multi CAS
No
Molecular Formula
C11H17N3
Molecular Weight
191.270000
Exact Mass
191.142248
SMILES
C1CNCCC1(CN)C2=CC=CC=N2
InChI
InChI=1S/C11H17N3/c12-9-11(4-7-13-8-5-11)10-3-1-2-6-14-10/h1-3,6,13H,4-5,7-9,12H2
InChIKey
VUSCKFGKQQYPAP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
57.07
TPSA
50.94

LogP / Solubility

WLOGP
0.66
MLOGP
0.58
XLogP3
0.1
Consensus LogP
0.45
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
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)
-3.42

Drug-likeness / Medicinal Chemistry

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

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