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Chemical ID: 6640291
Chemical ID:
6640291
Name [?]:
2-(1-piperidyl)cyclohexane-1-carboxylic acid
SMILES [?]:
C1CCN(CC1)C2CCCCC2C(=O)O
InChi [?]:
InChI=1/C12H21NO2/c14-12(15)10-6-2-3-7-11(10)13-8-4-1-5-9-13/h10-11H,1-9H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,10,9,2,6,11,8,3,5,12,7,13,4,14,15/E:(4,5)(8,9)(14,15)/rA:15cCCCNCCCCCCCCCOO/rB:s1;s2;s3;s4;s1s5;s4;s7;s8;s9;s10;s7s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H21NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.14702 |
Area: | 362.177 |
Solvation: | -1.9074 |
Coulombic: | -31.6359 |
Bond Count [?]
All: | 16 |
Single: | 15 |
Double: | 1 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 211.301 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.81 |
LogP (Chemaxon): | -0.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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