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Chemical ID: 5007272
Chemical ID:
5007272
Name [?]:
1-[1-(4-pyridyl)ethyl]piperazine
SMILES [?]:
CC(c1ccncc1)N2CCNCC2
InChi [?]:
InChI=1/C11H17N3/c1-10(11-2-4-12-5-3-11)14-8-6-13-7-9-14/h2-5,10,13H,6-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,8,5,7,11,13,10,14,2,3,6,12,9/E:(2,3)(4,5)(6,7)(8,9)/rA:14cCCCCCNCCNCCNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;s10;s11;s12;s9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17N3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.16885 |
Area: | 361.736 |
Solvation: | -1.87454 |
Coulombic: | -18.0764 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 191.273 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.45 |
LogP (Chemaxon): | 0.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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