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Chemical ID: 4333868
Chemical ID:
4333868
Name [?]:
1-benzyl-4-sec-butyl-piperazine
SMILES [?]:
CCC(C)N1CCN(CC1)Cc2ccccc2
InChi [?]:
InChI=1/C15H24N2/c1-3-14(2)17-11-9-16(10-12-17)13-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,4,2,15,14,16,13,17,7,9,6,10,11,3,12,8,5/E:(5,6)(7,8)(9,10)(11,12)/rA:17cCCCCNCCNCCCCCCCCC/rB:s1;s2;s3;s3;s5;s6;s7;s8;s5s9;s8;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24N2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.30011 |
Area: | 431.21 |
Solvation: | -1.48014 |
Coulombic: | -11.9483 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 232.365 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.66 |
LogP (Chemaxon): | 2.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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