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Chemical ID: 6321757
Chemical ID:
6321757
Name [?]:
1-[(4-ethylphenyl)methyl]-4-norbornan-2-yl-piperazine
SMILES [?]:
CCc1ccc(cc1)CN2CCN(CC2)C3CC4CCC3C4
InChi [?]:
InChI=1/C20H30N2/c1-2-16-3-5-17(6-4-16)15-21-9-11-22(12-10-21)20-14-18-7-8-19(20)13-18/h3-6,18-20H,2,7-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,4,8,5,7,19,20,11,15,12,14,22,17,9,3,6,18,21,16,10,13/E:(3,4)(5,6)(9,10)(11,12)/rA:22cCCCCCCCCCNCCNCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s10s14;s13;s16;s17;s18;s19;s16s20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H30N2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 11.2641 |
Area: | 507.685 |
Solvation: | -1.42801 |
Coulombic: | -12.1984 |
Bond Count [?]
All: | 25 |
Single: | 22 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 298.466 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.04 |
LogP (Chemaxon): | 4.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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