Chemical ID: 4226779

COc1cccc(c1)CN2CCN(CC2)C3CCCC3
Chemical ID:
4226779
Name [?]:
1-cyclopentyl-4-[(3-methoxyphenyl)methyl]piperazine
SMILES [?]:
COc1cccc(c1)CN2CCN(CC2)C3CCCC3
InChi [?]:
InChI=1/C17H26N2O/c1-20-17-8-4-5-15(13-17)14-18-9-11-19(12-10-18)16-6-2-3-7-16/h4-5,8,13,16H,2-3,6-7,9-12,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,19,5,6,17,20,4,11,15,12,14,8,9,7,16,3,10,13,2/E:(2,3)(6,7)(9,10)(11,12)/rA:20nCOCCCCCCCNCCNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;s12;s13;s10s14;s13;s16;s17;s18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H26N2O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.10975
Area:479.713
Solvation:-2.88306
Coulombic:-18.2367
Bond Count [?]
All:22
Single:19
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:274.401
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.59
LogP (Chemaxon):2.67

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