Chemical ID: 5784100

COC(=O)CCN1CCCCC1
Chemical ID:
5784100
Name [?]:
methyl 3-(1-piperidyl)propanoate
SMILES [?]:
COC(=O)CCN1CCCCC1
InChi [?]:
InChI=1/C9H17NO2/c1-12-9(11)5-8-10-6-3-2-4-7-10/h2-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,9,11,5,8,12,6,3,7,4,2/E:(3,4)(6,7)/rA:12nCOCOCCNCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s10;s7s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H17NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.93952
Area:352.386
Solvation:-1.87014
Coulombic:-22.8155
Bond Count [?]
All:12
Single:11
Double:1
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:171.237
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.79
LogP (Chemaxon):0.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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