Chemical ID: 3959277

CC(C)OC(=O)CN1CCN(CC1)C2CCCCC2
Chemical ID:
3959277
Name [?]:
isopropyl 2-(4-cyclohexylpiperazin-1-yl)acetate
SMILES [?]:
CC(C)OC(=O)CN1CCN(CC1)C2CCCCC2
InChi [?]:
InChI=1/C15H28N2O2/c1-13(2)19-15(18)12-16-8-10-17(11-9-16)14-6-4-3-5-7-14/h13-14H,3-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,17,16,18,15,19,9,13,10,12,7,2,14,5,8,11,6,4/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:19nCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s10;s11;s8s12;s11;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H28N2O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.55059
Area:478.092
Solvation:-2.40172
Coulombic:-29.223
Bond Count [?]
All:20
Single:19
Double:1
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:268.395
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.12
LogP (Chemaxon):1.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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