Chemical ID: 5140113

c1ccc2c(c1)CCCC(C2O)N3CCCCC3
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

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Descriptor Annotations

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