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Chemical ID: 6510353
Chemical ID:
6510353
Name [?]:
azepan-1-yl-(3-piperidyl)methanone
SMILES [?]:
C1CCCN(CC1)C(=O)C2CCCNC2
InChi [?]:
InChI=1/C12H22N2O/c15-12(11-6-5-7-13-10-11)14-8-3-1-2-4-9-14/h11,13H,1-10H2
InChi Info:
AuxInfo=1/0/N:1,2,7,3,12,11,13,6,4,15,10,8,14,5,9/E:(1,2)(3,4)(8,9)/rA:15cCCCCNCCCOCCCCNC/rB:s1;s2;s3;s4;s5;s1s6;s5;d8;s8;s10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H22N2O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.76528 |
Area: | 377.721 |
Solvation: | -1.67775 |
Coulombic: | -25.0293 |
Bond Count [?]
All: | 16 |
Single: | 15 |
Double: | 1 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 210.316 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.89 |
LogP (Chemaxon): | 0.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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