5-methyl-4-(piperidin-1-ylmethyl)furan-2-carboxylic acid

5-methyl-4-(piperidin-1-ylmethyl)furan-2-carboxylic acid

CAS: 299920-95-9

Formula: C12H17NO3

SMILES: CC1=C(CN2CCCCC2)C=C(O1)C(O)=O

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

InChI: InChI=1S/C12H17NO3/c1-9-10(7-11(16-9)12(14)15)8-13-5-3-2-4-6-13/h7H,2-6,8H2,1H3,(H,14,15)

Composition: C (64.55%), H (7.67%), N (6.27%), O (21.50%)

Molar Mass: 223.272

Atom Count: 33

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	223.120843411
Formal Charge	0
FSP3	0.58
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	JTYSYYIVQNSMAN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.54
Topological Polar Surface Area	53.68
Polarizability	23.16
Ring Count	2
Rotatable Bond Count	3

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