Chemical ID: 4123039

CN1CCN(CC1)c2ccccc2C(=O)O
Chemical ID:
4123039
Name [?]:
2-(4-methylpiperazin-1-yl)benzoic acid
SMILES [?]:
CN1CCN(CC1)c2ccccc2C(=O)O
InChi [?]:
InChI=1/C12H16N2O2/c1-13-6-8-14(9-7-13)11-5-3-2-4-10(11)12(15)16/h2-5H,6-9H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,11,10,12,9,3,7,4,6,13,8,14,2,5,15,16/E:(6,7)(8,9)(15,16)/rA:16nCNCCNCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16N2O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.08345
Area:385.661
Solvation:-2.55808
Coulombic:-38.8256
Bond Count [?]
All:17
Single:13
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:220.268
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.49
LogP (Chemaxon):-1.54

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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