Chemical ID: 7116470

C1CCC(CC1)N2CCN(CC2)CCC(=O)O
Chemical ID:
7116470
Name [?]:
3-(4-cyclohexylpiperazin-1-yl)propanoic acid
SMILES [?]:
C1CCC(CC1)N2CCN(CC2)CCC(=O)O
InChi [?]:
InChI=1/C13H24N2O2/c16-13(17)6-7-14-8-10-15(11-9-14)12-4-2-1-3-5-12/h12H,1-11H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,14,13,9,11,8,12,4,15,10,7,16,17/E:(2,3)(4,5)(8,9)(10,11)(16,17)/rA:17nCCCCCCNCCNCCCCCOO/rB:s1;s2;s3;s4;s1s5;s4;s7;s8;s9;s10;s7s11;s10;s13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H24N2O2
All Atoms:41
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.61302
Area:433.708
Solvation:-2.22968
Coulombic:-35.8279
Bond Count [?]
All:18
Single:17
Double:1
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:240.342
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.07
LogP (Chemaxon):-1.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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