Chemical ID: 4663168

CCOC(=O)N1CCN(CC1)C
Chemical ID:
4663168
Name [?]:
ethyl 4-methylpiperazine-1-carboxylate
SMILES [?]:
CCOC(=O)N1CCN(CC1)C
InChi [?]:
InChI=1/C8H16N2O2/c1-3-12-8(11)10-6-4-9(2)5-7-10/h3-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,8,10,7,11,4,9,6,5,3/E:(4,5)(6,7)/rA:12nCCOCONCCNCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H16N2O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.88838
Area:346.344
Solvation:-1.77022
Coulombic:-33.7097
Bond Count [?]
All:12
Single:11
Double:1
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:172.225
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.09
LogP (Chemaxon):0.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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