Chemical ID: 5009125

CC(C)COc1ccc(cc1OC)CN2CCNCC2
Chemical ID:
5009125
Name [?]:
1-[(4-isobutoxy-3-methoxy-phenyl)methyl]piperazine
SMILES [?]:
CC(C)COc1ccc(cc1OC)CN2CCNCC2
InChi [?]:
InChI=1/C16H26N2O2/c1-13(2)12-20-15-5-4-14(10-16(15)19-3)11-18-8-6-17-7-9-18/h4-5,10,13,17H,6-9,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,13,8,7,17,19,16,20,10,14,4,2,9,6,11,18,15,12,5/E:(1,2)(6,7)(8,9)/rA:20nCCCCOCCCCCCOCCNCCNCC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s9;s14;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H26N2O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.57762
Area:492.283
Solvation:-4.72947
Coulombic:-28.5534
Bond Count [?]
All:21
Single:18
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:278.39
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.82
LogP (Chemaxon):2.08

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Descriptor Annotations

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