Chemical ID: 6682043

CCOC(=O)C1CCCCN1C
Chemical ID:
6682043
Name [?]:
ethyl 1-methylpiperidine-2-carboxylate
SMILES [?]:
CCOC(=O)C1CCCCN1C
InChi [?]:
InChI=1/C9H17NO2/c1-3-12-9(11)8-6-4-5-7-10(8)2/h8H,3-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,8,9,7,10,6,4,11,5,3/rA:12cCCOCOCCCCCNC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H17NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:2
ZAP Information [?]
Total:6.96499
Area:338.956
Solvation:-1.50891
Coulombic:-25.1072
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:1.16
LogP (Chemaxon):0.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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