14N

4-(4-methylpiperazin-1-yl)benzoic acid

Created:	2013-01-15
Last modified:	2013-02-01

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2 entries where 14N is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	6

2D diagram of 14N

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Chemical Component Summary
Name	4-(4-methylpiperazin-1-yl)benzoic acid
Systematic Name (OpenEye OEToolkits)	4-(4-methylpiperazin-1-yl)benzoic acid
Formula	C₁₂ H₁₆ N₂ O₂
Molecular Weight	220.268
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)c1ccc(cc1)N2CCN(C)CC2
SMILES	CACTVS	3.370	CN1CCN(CC1)c2ccc(cc2)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	CN1CCN(CC1)c2ccc(cc2)C(=O)O
Canonical SMILES	CACTVS	3.370	CN1CCN(CC1)c2ccc(cc2)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CN1CCN(CC1)c2ccc(cc2)C(=O)O
InChI	InChI	1.03	InChI=1S/C12H16N2O2/c1-13-6-8-14(9-7-13)11-4-2-10(3-5-11)12(15)16/h2-5H,6-9H2,1H3,(H,15,16)
InChIKey	InChI	1.03	UCFZVQHKTRSZMM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	736532, 5158286
ChEMBL	CHEMBL2326882

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