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Chemical ID: 4259326
Chemical ID:
4259326
Name [?]:
ethyl 1-methylpiperidine-3-carboxylate
SMILES [?]:
CCOC(=O)C1CCCN(C1)C
InChi [?]:
InChI=1/C9H17NO2/c1-3-12-9(11)8-5-4-6-10(2)7-8/h8H,3-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,8,7,9,11,6,4,10,5,3/rA:12cCCOCOCCCCNCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H17NO2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.88878 |
Area: | 348.479 |
Solvation: | -1.82318 |
Coulombic: | -23.2749 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 1 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 171.237 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 0.72 |
LogP (Chemaxon): | 0.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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