Chemical ID: 5771621

C1CCC(CC1)OCC(CN2CCN(CC2)CC(COC3CCCCC3)O)O
Chemical ID:
5771621
Name [?]:
1-cyclohexoxy-3-[4-(3-cyclohexoxy-2-hydroxy-propyl)piperazin-1-yl]-propan-2-ol
SMILES [?]:
C1CCC(CC1)OCC(CN2CCN(CC2)CC(COC3CCCCC3)O)O
InChi [?]:
InChI=1/C22H42N2O4/c25-19(17-27-21-7-3-1-4-8-21)15-23-11-13-24(14-12-23)16-20(26)18-28-22-9-5-2-6-10-22/h19-22,25-26H,1-18H2
InChi Info:
AuxInfo=1/0/N:1,24,2,6,23,25,3,5,22,26,12,16,13,15,10,17,8,19,9,18,4,21,11,14,28,27,7,20/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)/rA:28cCCCCCCOCCCNCCNCCCCCOCCCCCCOO/rB:s1;s2;s3;s4;s1s5;s4;s7;s8;s9;s10;s11;s12;s13;s14;s11s15;s14;s17;s18;s19;s20;s21;s22;s23;s24;s21s25;s18;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H42N2O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:2
ZAP Information [?]
Total:8.69318
Area:674.955
Solvation:-8.18069
Coulombic:-58.1743
Bond Count [?]
All:30
Single:30
Double:0
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:398.58
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.64
LogP (Chemaxon):2.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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