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Chemical ID: 5104316
Chemical ID:
5104316
Name [?]:
1-(1-naphthyl)-2-piperazin-1-yl-ethanol
SMILES [?]:
c1ccc2c(c1)cccc2C(CN3CCNCC3)O
InChi [?]:
InChI=1/C16H20N2O/c19-16(12-18-10-8-17-9-11-18)15-7-3-5-13-4-1-2-6-14(13)15/h1-7,16-17,19H,8-12H2
InChi Info:
AuxInfo=1/0/N:1,2,8,6,7,3,9,15,17,14,18,12,5,4,10,11,16,13,19/E:(8,9)(10,11)/rA:19cCCCCCCCCCCCCNCCNCCO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;s12;s13;s14;s15;s16;s13s17;s11;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N2O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.0493 |
Area: | 441.668 |
Solvation: | -2.9924 |
Coulombic: | -32.1922 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 256.343 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.84 |
LogP (Chemaxon): | 2.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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