4-Cyanopiperidine CAS NO.4395-98-6

1. Introduction of4-Cyanopiperidine The 4-Cyanopiperidine, with its CAS NO4395-98-6, is a kind oflittle yellow powder. It has s…

1. Introduction of 4-Cyanopiperidine

 

The 4-Cyanopiperidine, with its CAS NO 4395-98-6, is a kind of little yellow powder. It has synonyms of Isonipecotonitrile(6CI,8CI); 4-Piperidinecarbonitrile and piperidine-4-carbonitrile. 4-Cyanopiperidine should be stored in shady and cool warehouse.

 

2. Properties of 4-Cyanopiperidine

 

(1) H-Bond Donor 1  (2) H-Bond Acceptor 2  (4) (3) Exact Mass 110.084398
(5) MonoIsotopic Mass 110.084398 (6) Topological Polar Surface Area 35.8 (7) Heavy Atom Count 8
(8) Complexity 105 (9) Covalently-Bonded Unit Count 1 (10) Feature 3D Acceptor Count 1
(11) Feature 3D Donor Count 1 (12) Feature 3D Cation Count 1 (13) Feature 3D Ring Count 1
(14) Effective Rotor Count 1.2 (15) Conformer Sampling RMSD 0.4 (16) CID Conformer Count 4

 

3. Structure descriptors of 4-Cyanopiperidine

 

IUPAC Name: piperidine-4-carbonitrile

InChI: InChI=1S/C6H10N2/c7-5-6-1-3-8-4-2-6/h6,8H,1-4H2

InChIKey: FSDNTQSJGHSJBG-UHFFFAOYSA-N

Canonical SMILES : C1CNCCC1C#N