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Chemical ID: 5650649
Chemical ID:
5650649
Name [?]:
1-(1-methyl-4-piperidyl)piperidine-4-carboxylic acid
SMILES [?]:
CN1CCC(CC1)N2CCC(CC2)C(=O)O
InChi [?]:
InChI=1/C12H22N2O2/c1-13-6-4-11(5-7-13)14-8-2-10(3-9-14)12(15)16/h10-11H,2-9H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,10,12,4,6,3,7,9,13,11,5,14,2,8,15,16/E:(2,3)(4,5)(6,7)(8,9)(15,16)/rA:16nCNCCCCCNCCCCCCOO/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;s11;s8s12;s11;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H22N2O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.50643 |
Area: | 403.488 |
Solvation: | -2.58075 |
Coulombic: | -35.0988 |
Bond Count [?]
All: | 17 |
Single: | 16 |
Double: | 1 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 226.315 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.38 |
LogP (Chemaxon): | -2.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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