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CAS 1262408-81-0 tert-Butyl 4-(hydroxymethyl)piperidin-4-ylcarbamate molecular structure lightbox
CAS RN: 1262408-81-0

tert-Butyl 4-(hydroxymethyl)piperidin-4-ylcarbamate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260426 100mg / 250mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1262408-81-0
  • Purity/Analytical Methods: >99.0%
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1262408-81-0 / tert-butyl N-[4-(hydroxymethyl)piperidin-4-yl]carbamate

Standard CAS: 1262408-81-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1262408-81-0
Multi CAS
No
Molecular Formula
C11H22N2O3
Molecular Weight
230.300000
Exact Mass
230.163043
SMILES
CC(C)(C)OC(=O)NC1(CCNCC1)CO
InChI
InChI=1S/C11H22N2O3/c1-10(2,3)16-9(15)13-11(8-14)4-6-12-7-5-11/h12,14H,4-8H2,1-3H3,(H,13,15)
InChIKey
PEGCEDATSBGIIH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
61.29
TPSA
70.59

LogP / Solubility

WLOGP
0.63
MLOGP
0.55
XLogP3
0.2
Consensus LogP
0.46
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
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)
-3.68

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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