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Chemical ID: 5009144
Chemical ID:
5009144
Name [?]:
1-[(3-isobutoxyphenyl)methyl]piperazine
SMILES [?]:
CC(C)COc1cccc(c1)CN2CCNCC2
InChi [?]:
InChI=1/C15H24N2O/c1-13(2)12-18-15-5-3-4-14(10-15)11-17-8-6-16-7-9-17/h3-5,10,13,16H,6-9,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,8,9,7,15,17,14,18,11,12,4,2,10,6,16,13,5/E:(1,2)(6,7)(8,9)/rA:18nCCCCOCCCCCCCNCCNCC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s10;s12;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24N2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.86463 |
Area: | 458.037 |
Solvation: | -2.58628 |
Coulombic: | -22.4169 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 248.364 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.17 |
LogP (Chemaxon): | 2.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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