ChemDB: Chemical Search
Download
Chemical ID: 7100357
Chemical ID:
7100357
Name [?]:
1-(2-piperidylmethyl)azepane
SMILES [?]:
C1CCCN(CC1)CC2CCCCN2
InChi [?]:
InChI=1/C12H24N2/c1-2-6-10-14(9-5-1)11-12-7-3-4-8-13-12/h12-13H,1-11H2
InChi Info:
AuxInfo=1/0/N:1,2,11,12,7,3,10,13,6,4,8,9,14,5/E:(1,2)(5,6)(9,10)/rA:14cCCCCNCCCCCCCCN/rB:s1;s2;s3;s4;s5;s1s6;s5;s8;s9;s10;s11;s12;s9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H24N2 |
All Atoms: | 38 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.98753 |
Area: | 366.733 |
Solvation: | -1.18079 |
Coulombic: | -14.1732 |
Bond Count [?]
All: | 15 |
Single: | 15 |
Double: | 0 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 196.332 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.8 |
LogP (Chemaxon): | 1.69 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|