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CAS 2413884-40-7 tert-butyl N-(6,6-dimethyl-3-piperidyl)carbamate molecular structure lightbox
CAS RN: 2413884-40-7

tert-butyl N-(6,6-dimethyl-3-piperidyl)carbamate

  • Product code: SSC-117817
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.05g, 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2413884-40-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥95% 0 Out of Stock Shanghai Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

2413884-40-7 / tert-butyl N-(6,6-dimethylpiperidin-3-yl)carbamate

Standard CAS: 2413884-40-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2413884-40-7
Multi CAS
No
Molecular Formula
C12H24N2O2
Molecular Weight
228.330000
Exact Mass
228.183778
SMILES
CC1(CCC(CN1)NC(=O)OC(C)(C)C)C
InChI
InChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14-9-6-7-12(4,5)13-8-9/h9,13H,6-8H2,1-5H3,(H,14,15)
InChIKey
RHNFTJZIJSQCAZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
64.47
TPSA
50.36

LogP / Solubility

WLOGP
2.04
MLOGP
1.8
XLogP3
1.7
Consensus LogP
1.85
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
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)
-2.66

Drug-likeness / Medicinal Chemistry

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

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