Chemical ID: 3963818

CCOC(=O)CC1CCCNC1
Chemical ID:
3963818
Name [?]:
ethyl 2-(3-piperidyl)acetate
SMILES [?]:
CCOC(=O)CC1CCCNC1
InChi [?]:
InChI=1/C9H17NO2/c1-2-12-9(11)6-8-4-3-5-10-7-8/h8,10H,2-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,9,8,10,6,12,7,4,11,5,3/rA:12cCCOCOCCCCCNC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s7s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H17NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:6.72876
Area:349.544
Solvation:-2.00984
Coulombic:-26.4801
Bond Count [?]
All:12
Single:11
Double:1
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:171.237
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.85
LogP (Chemaxon):0.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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