Chemical ID: 5001988

COc1ccccc1C(c2ccccc2)N3CCNCC3
Chemical ID:
5001988
Name [?]:
1-[(2-methoxyphenyl)-phenyl-methyl]piperazine
SMILES [?]:
COc1ccccc1C(c2ccccc2)N3CCNCC3
InChi [?]:
InChI=1/C18H22N2O/c1-21-17-10-6-5-9-16(17)18(15-7-3-2-4-8-15)20-13-11-19-12-14-20/h2-10,18-19H,11-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,6,5,11,15,7,4,18,20,17,21,10,8,3,9,19,16,2/E:(3,4)(7,8)(11,12)(13,14)/rA:21cCOCCCCCCCCCCCCCNCCNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s12;d13;d10s14;s9;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22N2O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:9.09448
Area:467.494
Solvation:-2.59288
Coulombic:-24.2677
Bond Count [?]
All:23
Single:17
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:282.38
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.67
LogP (Chemaxon):2.97

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Descriptor Annotations

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