Chemical ID: 5009144

CC(C)COc1cccc(c1)CN2CCNCC2
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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Descriptor Annotations

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