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Chemical ID: 4603470
Chemical ID:
4603470
Name [?]:
2,6-diphenyl-4-(2-phenylethynyl)-3-propyl-piperidin-4-ol
SMILES [?]:
CCCC1C(NC(CC1(C#Cc2ccccc2)O)c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C28H29NO/c1-2-12-25-27(24-17-10-5-11-18-24)29-26(23-15-8-4-9-16-23)21-28(25,30)20-19-22-13-6-3-7-14-22/h3-11,13-18,25-27,29-30H,2,12,21H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,22,28,14,16,21,23,27,29,3,13,17,20,24,26,30,11,10,8,12,19,25,4,7,5,9,6,18/E:(6,7)(8,9)(10,11)(13,14)(15,16)(17,18)/rA:30cCCCCCNCCCCCCCCCCCOCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s9;t10;s11;s12;d13;s14;d15;d12s16;s9;s7;s19;d20;s21;d22;d19s23;s5;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H29NO |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 13.9833 |
Area: | 649.154 |
Solvation: | -2.24558 |
Coulombic: | -33.488 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 395.536 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 6.84 |
LogP (Chemaxon): | 6.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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