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Chemical ID: 4226779
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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