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CAS 1196506-95-2 Ethyl-(R)-piperidin-3-yl-carbaMic acid tert-butyl ester molecular structure lightbox
CAS RN: 1196506-95-2

Ethyl-(R)-piperidin-3-yl-carbaMic acid tert-butyl ester

  • Product code: SSC-020333
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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: 0.25g, 1g, 5g, 10g
  • 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 1196506-95-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry

1196506-95-2 / tert-butyl N-ethyl-N-[(3R)-piperidin-3-yl]carbamate

TERT-BUTYL N-ETHYL-N-(PIPERIDIN-3-YL)CARBAMATE | RefChem:896404 | 960-834-4

Standard CAS: 1196506-95-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1196506-95-2
Multi CAS
Yes
Molecular Formula
C12H24N2O2
Molecular Weight
228.330000
Exact Mass
228.183778
SMILES
CCN([C@@H]1CCCNC1)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H24N2O2/c1-5-14(10-7-6-8-13-9-10)11(15)16-12(2,3)4/h10,13H,5-9H2,1-4H3/t10-/m1/s1
InChIKey
NVISSTNTBKVSPW-SNVBAGLBSA-N
Synonyms
TERT-BUTYL N-ETHYL-N-(PIPERIDIN-3-YL)CARBAMATE RefChem:896404 960-834-4 tert-Butyl ethyl(piperidin-3-yl)carbamate tert-butyl N-ethyl-N-piperidin-3-ylcarbamate

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.51
TPSA
41.57

LogP / Solubility

WLOGP
2
MLOGP
1.76
XLogP3
1.6
Consensus LogP
1.79
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
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)
-2.7

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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