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Chemical ID: 6659350
Chemical ID:
6659350
Name [?]:
1-(1-naphthyl-phenyl-methyl)piperidine
SMILES [?]:
c1ccc(cc1)C(c2cccc3c2cccc3)N4CCCCC4
InChi [?]:
InChI=1/C22H23N/c1-3-11-19(12-4-1)22(23-16-7-2-8-17-23)21-15-9-13-18-10-5-6-14-20(18)21/h1,3-6,9-15,22H,2,7-8,16-17H2
InChi Info:
AuxInfo=1/0/N:1,21,2,6,16,15,20,22,10,17,3,5,11,14,9,19,23,12,4,13,8,7,18/E:(3,4)(7,8)(11,12)(16,17)/rA:23cCCCCCCCCCCCCCCCCCNCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s13;d14;s15;s12d16;s7;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23N |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.8643 |
Area: | 489.791 |
Solvation: | -1.38043 |
Coulombic: | -10.2277 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 301.425 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 5.48 |
LogP (Chemaxon): | 5.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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