CAS RN: 436099-96-6

1-(1-PHENYLETHYL)PIPERAZINE

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Batchno.20250325 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS436099-96-6
  • Purity/Analytical Methods: >99.0%
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436099-96-6 / 1-[(1R)-1-phenylethyl]piperazine

Standard CAS: 436099-96-6 Multi CAS: Yes

Basic Information

CAS
436099-96-6
Multi CAS
Yes
Molecular Formula
C12H18N2
Molecular Weight
190.280000
Exact Mass
190.146999
InChI
InChI=1S/C12H18N2/c1-11(12-5-3-2-4-6-12)14-9-7-13-8-10-14/h2-6,11,13H,7-10H2,1H3
InChIKey
PYBNQKSXWAIBKN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.3
TPSA
15.27

LogP / Solubility

WLOGP
1.65
MLOGP
1.45
XLogP3
1.5
Consensus LogP
1.53
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
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)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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