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Chemical ID: 5140113
Chemical ID:
5140113
Name [?]:
3-(1-piperidyl)bicyclo[5.4.0]undeca-8,10,12-trien-2-ol
SMILES [?]:
c1ccc2c(c1)CCCC(C2O)N3CCCCC3
InChi [?]:
InChI=1/C16H23NO/c18-16-14-9-3-2-7-13(14)8-6-10-15(16)17-11-4-1-5-12-17/h2-3,7,9,15-16,18H,1,4-6,8,10-12H2
InChi Info:
AuxInfo=1/0/N:16,1,2,15,17,8,6,7,3,9,14,18,5,4,10,11,13,12/E:(4,5)(11,12)/rA:18cCCCCCCCCCCCONCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s4s10;s11;s10;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H23NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.82476 |
Area: | 412.786 |
Solvation: | -2.49489 |
Coulombic: | -23.357 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 245.36 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.84 |
LogP (Chemaxon): | 3.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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