Chemical ID: 4172214

CCOc1ccccc1CN2CCN(CC2)C
Chemical ID:
4172214
Name [?]:
1-[(2-ethoxyphenyl)methyl]-4-methyl-piperazine
SMILES [?]:
CCOc1ccccc1CN2CCN(CC2)C
InChi [?]:
InChI=1/C14H22N2O/c1-3-17-14-7-5-4-6-13(14)12-16-10-8-15(2)9-11-16/h4-7H,3,8-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,2,7,6,8,5,13,15,12,16,10,9,4,14,11,3/E:(8,9)(10,11)/rA:17nCCOCCCCCCCNCCNCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s14;s11s15;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H22N2O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.70337
Area:429.133
Solvation:-3.02496
Coulombic:-17.5786
Bond Count [?]
All:18
Single:15
Double:3
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:234.337
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.75
LogP (Chemaxon):1.82

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Descriptor Annotations

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