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Chemical ID: 4335823
Chemical ID:
4335823
Name [?]:
1-isopropyl-4-(p-tolylmethyl)piperazine
SMILES [?]:
Cc1ccc(cc1)CN2CCN(CC2)C(C)C
InChi [?]:
InChI=1/C15H24N2/c1-13(2)17-10-8-16(9-11-17)12-15-6-4-14(3)5-7-15/h4-7,13H,8-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:16,17,1,3,7,4,6,10,14,11,13,8,15,2,5,9,12/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:17nCCCCCCCCNCCNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s12;s9s13;s12;s15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24N2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.33472 |
Area: | 434.7 |
Solvation: | -1.53277 |
Coulombic: | -11.3409 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 232.365 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.74 |
LogP (Chemaxon): | 2.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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