Chemical ID: 4171485

COc1ccc(cc1)CN2CCN(CC2)c3ccc(cc3)Cl
Chemical ID:
4171485
Name [?]:
1-(4-chlorophenyl)-4-[(4-methoxyphenyl)methyl]piperazine
SMILES [?]:
COc1ccc(cc1)CN2CCN(CC2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H21ClN2O/c1-22-18-8-2-15(3-9-18)14-20-10-12-21(13-11-20)17-6-4-16(19)5-7-17/h2-9H,10-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,18,20,17,21,4,8,11,15,12,14,9,6,19,16,3,22,10,13,2/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:22nCOCCCCCCCNCCNCCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s10s14;s13;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21ClN2O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.73643
Area:523.245
Solvation:-3.34471
Coulombic:-20.4126
Bond Count [?]
All:24
Single:18
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:316.825
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.12
LogP (Chemaxon):4.15

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