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Chemical ID: 6333186
Chemical ID:
6333186
Name [?]:
3-cyclopentyl-1-(4-isopropylpiperazin-1-yl)-propan-1-one
SMILES [?]:
CC(C)N1CCN(CC1)C(=O)CCC2CCCC2
InChi [?]:
InChI=1/C15H28N2O/c1-13(2)16-9-11-17(12-10-16)15(18)8-7-14-5-3-4-6-14/h13-14H,3-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,16,17,15,18,13,12,5,9,6,8,2,14,10,4,7,11/E:(1,2)(3,4)(5,6)(9,10)(11,12)/rA:18nCCCNCCNCCCOCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s4s8;s7;d10;s10;s12;s13;s14;s15;s16;s14s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H28N2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.60364 |
Area: | 465.481 |
Solvation: | -2.03338 |
Coulombic: | -21.1964 |
Bond Count [?]
All: | 19 |
Single: | 18 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 252.396 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.08 |
LogP (Chemaxon): | 2.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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