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CAS 1416984-76-3 1-Boc-4-aMinoMethyl-4-hydroxyMethylpiperidine molecular structure lightbox
CAS RN: 1416984-76-3

1-Boc-4-aMinoMethyl-4-hydroxyMethylpiperidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251112 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS1416984-76-3
  • Purity/Analytical Methods: >99.0%
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1416984-76-3 / tert-butyl 4-(aminomethyl)-4-(hydroxymethyl)piperidine-1-carboxylate

Standard CAS: 1416984-76-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1416984-76-3
Multi CAS
No
Molecular Formula
C12H24N2O3
Molecular Weight
244.330000
Exact Mass
244.178693
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CN)CO
InChI
InChI=1S/C12H24N2O3/c1-11(2,3)17-10(16)14-6-4-12(8-13,9-15)5-7-14/h15H,4-9,13H2,1-3H3
InChIKey
ICZZGWFGUCHDSG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
65.61
TPSA
75.79

LogP / Solubility

WLOGP
0.95
MLOGP
0.85
XLogP3
0.1
Consensus LogP
0.63
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
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)
-3.53

Drug-likeness / Medicinal Chemistry

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

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