[email protected]
CAS 197569-11-2 N-Boc-4-(Cyanomethylene)piperidine molecular structure lightbox
CAS RN: 197569-11-2

N-Boc-4-(Cyanomethylene)piperidine

  • Product code: SSC-093159
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >98%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 197569-11-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >98% 1 In Stock Shenzhen Inquiry
1g >98% 1 In Stock Shenzhen Inquiry
5g >98% 1 In Stock Shanghai Inquiry
10g >98% 1 In Stock Shenzhen Inquiry
25g >98% 1 In Stock Beijing Inquiry

197569-11-2 / tert-butyl 4-(cyanomethylidene)piperidine-1-carboxylate

Standard CAS: 197569-11-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
197569-11-2
Multi CAS
No
Molecular Formula
C12H18N2O2
Molecular Weight
222.280000
Exact Mass
222.136828
SMILES
CC(C)(C)OC(=O)N1CCC(=CC#N)CC1
InChI
InChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14-8-5-10(4-7-13)6-9-14/h4H,5-6,8-9H2,1-3H3
InChIKey
BXCZVPSAYHBSQZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
60.74
TPSA
53.33

LogP / Solubility

WLOGP
2.47
MLOGP
2.17
XLogP3
1.2
Consensus LogP
1.95
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.15
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)
-2.32

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us