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Chemical ID: 4288308
Chemical ID:
4288308
Name [?]:
1-[(4-butoxyphenyl)methyl]-4-(4-chlorophenyl)-piperazine
SMILES [?]:
CCCCOc1ccc(cc1)CN2CCN(CC2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C21H27ClN2O/c1-2-3-16-25-21-10-4-18(5-11-21)17-23-12-14-24(15-13-23)20-8-6-19(22)7-9-20/h4-11H,2-3,12-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,8,10,21,23,20,24,7,11,14,18,15,17,4,12,9,22,19,6,25,13,16,5/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:25nCCCCOCCCCCCCNCCNCCCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;s14;s15;s16;s13s17;s16;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H27ClN2O |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8703 |
Area: | 602.787 |
Solvation: | -3.19935 |
Coulombic: | -21.4765 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 358.905 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.47 |
LogP (Chemaxon): | 5.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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