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Chemical ID: 4997723
Chemical ID:
4997723
Name [?]:
1-[1-(2-thienyl)cyclohexyl]piperidine
SMILES [?]:
c1cc(sc1)C2(CCCCC2)N3CCCCC3
InChi [?]:
InChI=1/C15H23NS/c1-3-9-15(10-4-1,14-8-7-13-17-14)16-11-5-2-6-12-16/h7-8,13H,1-6,9-12H2
InChi Info:
AuxInfo=1/0/N:9,15,8,10,14,16,1,2,7,11,13,17,5,3,6,12,4/E:(3,4)(5,6)(9,10)(11,12)/rA:17nCCCSCCCCCCCNCCCCC/rB:s1;d2;s3;d1s4;s3;s6;s7;s8;s9;s6s10;s6;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23NS |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.27228 |
Area: | 405.003 |
Solvation: | -0.852791 |
Coulombic: | -7.85036 |
Bond Count [?]
All: | 19 |
Single: | 17 |
Double: | 2 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 249.416 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.28 |
LogP (Chemaxon): | 3.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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