Chemical ID: 6125365

CCCC1C(NC(C(C1(C#Cc2ccccc2)O)C)c3ccccc3)c4ccccc4
Chemical ID:
6125365
Name [?]:
3-methyl-2,6-diphenyl-4-(2-phenylethynyl)-5-propyl-piperidin-4-ol
SMILES [?]:
CCCC1C(NC(C(C1(C#Cc2ccccc2)O)C)c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C29H31NO/c1-3-13-26-28(25-18-11-6-12-19-25)30-27(24-16-9-5-10-17-24)22(2)29(26,31)21-20-23-14-7-4-8-15-23/h4-12,14-19,22,26-28,30-31H,3,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,2,15,23,29,14,16,22,24,28,30,3,13,17,21,25,27,31,11,10,8,12,20,26,4,7,5,9,6,18/E:(7,8)(9,10)(11,12)(14,15)(16,17)(18,19)/rA:31cCCCCCNCCCCCCCCCCCOCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s9;t10;s11;s12;d13;s14;d15;d12s16;s9;s8;s7;s20;d21;s22;d23;d20s24;s5;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H31NO
All Atoms:31
Heavy Atoms:31
Chiral Atoms:5
ZAP Information [?]
Total:13.9152
Area:655.599
Solvation:-2.47478
Coulombic:-33.6811
Bond Count [?]
All:34
Single:24
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:409.563
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:7.14
LogP (Chemaxon):6.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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