Chemical ID: 4171345

CN1CCN(CC1)Cc2cccc(c2)OC
Chemical ID:
4171345
Name [?]:
1-[(3-methoxyphenyl)methyl]-4-methyl-piperazine
SMILES [?]:
CN1CCN(CC1)Cc2cccc(c2)OC
InChi [?]:
InChI=1/C13H20N2O/c1-14-6-8-15(9-7-14)11-12-4-3-5-13(10-12)16-2/h3-5,10H,6-9,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,11,10,12,3,7,4,6,14,8,9,13,2,5,15/E:(6,7)(8,9)/rA:16nCNCCNCCCCCCCCCOC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;d10;s11;d12;d9s13;s13;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20N2O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.25202
Area:407.076
Solvation:-2.92487
Coulombic:-17.555
Bond Count [?]
All:17
Single:14
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:220.311
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.33
LogP (Chemaxon):1.48

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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