Chemical ID: 6321756

CCc1ccc(cc1)CN2CCN(CC2)C(CC)CC
Chemical ID:
6321756
Name [?]:
1-[(4-ethylphenyl)methyl]-4-(1-ethylpropyl)piperazine
SMILES [?]:
CCc1ccc(cc1)CN2CCN(CC2)C(CC)CC
InChi [?]:
InChI=1/C18H30N2/c1-4-16-7-9-17(10-8-16)15-19-11-13-20(14-12-19)18(5-2)6-3/h7-10,18H,4-6,11-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,20,2,17,19,4,8,5,7,11,15,12,14,9,3,6,16,10,13/E:(2,3)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:20nCCCCCCCCCNCCNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s10s14;s13;s16;s17;s16;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H30N2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.9636
Area:496.62
Solvation:-1.4519
Coulombic:-12.4206
Bond Count [?]
All:21
Single:18
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:274.444
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.92
LogP (Chemaxon):4.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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