Chemical ID: 6333186

CC(C)N1CCN(CC1)C(=O)CCC2CCCC2
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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