Chemical ID: 6603954

CCOC(=O)N1CCN(CC1)C(=O)CCl
Chemical ID:
6603954
Name [?]:
ethyl 4-(2-chloroacetyl)piperazine-1-carboxylate
SMILES [?]:
CCOC(=O)N1CCN(CC1)C(=O)CCl
InChi [?]:
InChI=1/C9H15ClN2O3/c1-2-15-9(14)12-5-3-11(4-6-12)8(13)7-10/h2-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,8,10,7,11,14,12,4,15,9,6,13,5,3/E:(3,4)(5,6)/rA:15nCCOCONCCNCCCOCCl/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;d12;s12;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H15ClN2O3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.11423
Area:416.462
Solvation:-3.29731
Coulombic:-43.9542
Bond Count [?]
All:15
Single:13
Double:2
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:234.68
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:0.12
LogP (Chemaxon):0.12

Name Annotations

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Descriptor Annotations

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