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

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

CAS: 301353-36-6

Formula: C11H15NO3

SMILES: OC(=O)C1=CC=C(CN2CCCCC2)O1

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

InChI: InChI=1S/C11H15NO3/c13-11(14)10-5-4-9(15-10)8-12-6-2-1-3-7-12/h4-5H,1-3,6-8H2,(H,13,14)

Composition: C (63.14%), H (7.23%), N (6.69%), O (22.94%)

Molar Mass: 209.245

Atom Count: 30

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	209.105193347
Formal Charge	0
FSP3	0.55
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	FOMTWLBLESUJEU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.27
Topological Polar Surface Area	53.68
Polarizability	21.4
Ring Count	2
Rotatable Bond Count	3

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