Chemical ID: 3998181

CN1CCN(CC1)C(=O)CCl
Chemical ID:
3998181
Name [?]:
2-chloro-1-(4-methylpiperazin-1-yl)-ethanone
SMILES [?]:
CN1CCN(CC1)C(=O)CCl
InChi [?]:
InChI=1/C7H13ClN2O/c1-9-2-4-10(5-3-9)7(11)6-8/h2-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,10,8,11,2,5,9/E:(2,3)(4,5)/rA:11nCNCCNCCCOCCl/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H13ClN2O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.6954
Area:333.892
Solvation:-2.6519
Coulombic:-19.8227
Bond Count [?]
All:11
Single:10
Double:1
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:176.644
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:-0.27
LogP (Chemaxon):-0.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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