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Chemical ID: 7120348
Chemical ID:
7120348
Name [?]:
2-(4-phenylpiperazin-1-yl)ethanamine
SMILES [?]:
c1ccc(cc1)N2CCN(CC2)CCN
InChi [?]:
InChI=1/C12H19N3/c13-6-7-14-8-10-15(11-9-14)12-4-2-1-3-5-12/h1-5H,6-11,13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,14,13,9,11,8,12,4,15,10,7/E:(2,3)(4,5)(8,9)(10,11)/rA:15nCCCCCCNCCNCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H19N3 |
All Atoms: | 34 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.91863 |
Area: | 391.888 |
Solvation: | -1.87858 |
Coulombic: | -24.5114 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 205.299 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.1 |
LogP (Chemaxon): | 1.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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