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CAS 761440-87-3 1-(4-amino-3-methoxyphenyl)piperidin-4-ol molecular structure lightbox
CAS RN: 761440-87-3

1-(4-amino-3-methoxyphenyl)piperidin-4-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250115 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS761440-87-3
  • Purity/Analytical Methods: >99.0%
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761440-87-3 / 1-(4-amino-3-methoxyphenyl)piperidin-4-ol

Standard CAS: 761440-87-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
761440-87-3
Multi CAS
No
Molecular Formula
C12H18N2O2
Molecular Weight
222.280000
Exact Mass
222.136828
InChI
InChI=1S/C12H18N2O2/c1-16-12-8-9(2-3-11(12)13)14-6-4-10(15)5-7-14/h2-3,8,10,15H,4-7,13H2,1H3
InChIKey
PLRKSIZPNZPJOS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
64.86
TPSA
58.72

LogP / Solubility

WLOGP
1.24
MLOGP
1.09
XLogP3
1.2
Consensus LogP
1.18
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
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)
-3.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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