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Chemical ID: 7509231
Chemical ID:
7509231
Name [?]:
ethyl 1-(1-propyl-4-piperidyl)piperidine-4-carboxylate
SMILES [?]:
CCCN1CCC(CC1)N2CCC(CC2)C(=O)OCC
InChi [?]:
InChI=1/C16H30N2O2/c1-3-9-17-10-7-15(8-11-17)18-12-5-14(6-13-18)16(19)20-4-2/h14-15H,3-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,2,19,12,14,6,8,3,5,9,11,15,13,7,16,4,10,17,18/E:(5,6)(7,8)(10,11)(12,13)/rA:20nCCCNCCCCCNCCCCCCOOCC/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s7;s10;s11;s12;s13;s10s14;s13;d16;s16;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H30N2O2 |
All Atoms: | 50 |
Heavy Atoms: | 20 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.1408 |
Area: | 508.561 |
Solvation: | -2.57319 |
Coulombic: | -28.1206 |
Bond Count [?]
All: | 21 |
Single: | 20 |
Double: | 1 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.9 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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