Chemical ID: 4335195

CC(C)N1CCN(CC1)Cc2ccccc2
Chemical ID:
4335195
Name [?]:
1-benzyl-4-isopropyl-piperazine
SMILES [?]:
CC(C)N1CCN(CC1)Cc2ccccc2
InChi [?]:
InChI=1/C14H22N2/c1-13(2)16-10-8-15(9-11-16)12-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,14,13,15,12,16,6,8,5,9,10,2,11,7,4/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:16nCCCNCCNCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s4s8;s7;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H22N2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.77116
Area:411.664
Solvation:-1.52045
Coulombic:-11.6007
Bond Count [?]
All:17
Single:14
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:218.338
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.3
LogP (Chemaxon):2.49

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue