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CAS 1096865-58-5 ethyl({[4-(4-methoxypiperidin-1-yl)phenyl]methyl})amine molecular structure lightbox
CAS RN: 1096865-58-5

ethyl({[4-(4-methoxypiperidin-1-yl)phenyl]methyl})amine

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Batchno.20251206 50mg / 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1096865-58-5
  • Purity/Analytical Methods: >99.0%
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1096865-58-5 / N-[[4-(4-methoxypiperidin-1-yl)phenyl]methyl]ethanamine

ethyl({[4-(4-methoxypiperidin-1-yl)phenyl]methyl})amine | N-(4-(4-Methoxypiperidin-1-yl)benzyl)ethanamine | MFCD11978628

Standard CAS: 1096865-58-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1096865-58-5
Multi CAS
No
Molecular Formula
C15H24N2O
Molecular Weight
248.360000
Exact Mass
248.188863
SMILES
CCNCC1=CC=C(C=C1)N2CCC(CC2)OC
InChI
InChI=1S/C15H24N2O/c1-3-16-12-13-4-6-14(7-5-13)17-10-8-15(18-2)9-11-17/h4-7,15-16H,3,8-12H2,1-2H3
InChIKey
ATAZLXMCUDNBRS-UHFFFAOYSA-N
Synonyms
ethyl({[4-(4-methoxypiperidin-1-yl)phenyl]methyl})amine N-(4-(4-Methoxypiperidin-1-yl)benzyl)ethanamine MFCD11978628 N-[[4-(4-methoxypiperidin-1-yl)phenyl]methyl]ethanamine ethyl(([4-(4-methoxypiperidin-1-yl)phenyl]methyl))amine

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
76.07
TPSA
24.5

LogP / Solubility

WLOGP
2.41
MLOGP
2.13
XLogP3
2.2
Consensus LogP
2.25
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
Class (SILICOS-IT)
Poorly 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)
-2.52

Drug-likeness / Medicinal Chemistry

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

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