5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxylic acid

5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxylic acid

CAS: 865470-86-6

Formula: C11H16N2O3

SMILES: CN1CCN(CC2=CC=C(O2)C(O)=O)CC1

IUPAC: 5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxylic acid

InChI: InChI=1S/C11H16N2O3/c1-12-4-6-13(7-5-12)8-9-2-3-10(16-9)11(14)15/h2-3H,4-8H2,1H3,(H,14,15)

Composition: C (58.91%), H (7.19%), N (12.49%), O (21.40%)

Molar Mass: 224.26

Atom Count: 32

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	224.116092383
Formal Charge	0
FSP3	0.55
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	LGBIOVXCMFIYMZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.18
Topological Polar Surface Area	56.92
Polarizability	22.93
Ring Count	2
Rotatable Bond Count	3

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