Chemical ID: 4178199

CCCCOc1ccc(cc1)CN2CCN(CC2)CC
Chemical ID:
4178199
Name [?]:
1-[(4-butoxyphenyl)methyl]-4-ethyl-piperazine
SMILES [?]:
CCCCOc1ccc(cc1)CN2CCN(CC2)CC
InChi [?]:
InChI=1/C17H28N2O/c1-3-5-14-20-17-8-6-16(7-9-17)15-19-12-10-18(4-2)11-13-19/h6-9H,3-5,10-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,2,19,3,8,10,7,11,15,17,14,18,4,12,9,6,16,13,5/E:(6,7)(8,9)(10,11)(12,13)/rA:20nCCCCOCCCCCCCNCCNCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;s14;s15;s16;s13s17;s16;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H28N2O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.0585
Area:512.549
Solvation:-2.75519
Coulombic:-18.7745
Bond Count [?]
All:21
Single:18
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:276.417
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.1
LogP (Chemaxon):3.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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