Chemical ID: 4719932

c1ccc(cc1)N2CCN(CC2)C(=O)CCl
Chemical ID:
4719932
Name [?]:
2-chloro-1-(4-phenylpiperazin-1-yl)-ethanone
SMILES [?]:
c1ccc(cc1)N2CCN(CC2)C(=O)CCl
InChi [?]:
InChI=1/C12H15ClN2O/c13-10-12(16)15-8-6-14(7-9-15)11-4-2-1-3-5-11/h1-5H,6-10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,8,12,9,11,15,4,13,16,7,10,14/E:(2,3)(4,5)(6,7)(8,9)/rA:16nCCCCCCNCCNCCCOCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;d13;s13;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15ClN2O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.22404
Area:414.272
Solvation:-3.13276
Coulombic:-22.5813
Bond Count [?]
All:17
Single:13
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:238.713
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.9
LogP (Chemaxon):2.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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