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Chemical ID: 3963663
Chemical ID:
3963663
Name [?]:
1-(1-phenylethyl)piperazine
SMILES [?]:
CC(c1ccccc1)N2CCNCC2
InChi [?]:
InChI=1/C12H18N2/c1-11(12-5-3-2-4-6-12)14-9-7-13-8-10-14/h2-6,11,13H,7-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,8,11,13,10,14,2,3,12,9/E:(3,4)(5,6)(7,8)(9,10)/rA:14cCCCCCCCCNCCNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;s10;s11;s12;s9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18N2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.84603 |
Area: | 364.203 |
Solvation: | -1.25904 |
Coulombic: | -15.3887 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 190.285 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.7 |
LogP (Chemaxon): | 1.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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