Chemical ID: 4603470

CCCC1C(NC(CC1(C#Cc2ccccc2)O)c3ccccc3)c4ccccc4
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

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Descriptor Annotations

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