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Chemical ID: 4171481
Chemical ID:
4171481
Name [?]:
4-[(4-phenylpiperazin-1-yl)methyl]phenol
SMILES [?]:
c1ccc(cc1)N2CCN(CC2)Cc3ccc(cc3)O
InChi [?]:
InChI=1/C17H20N2O/c20-17-8-6-15(7-9-17)14-18-10-12-19(13-11-18)16-4-2-1-3-5-16/h1-9,20H,10-14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,15,19,16,18,9,11,8,12,13,14,4,17,10,7,20/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:20nCCCCCCNCCNCCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20N2O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.81479 |
Area: | 466.932 |
Solvation: | -2.85851 |
Coulombic: | -29.1868 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 268.354 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.18 |
LogP (Chemaxon): | 3.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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