2-(piperidin-1-ylmethyl)furan-3-carboxylic acid hydrochloride

2-(piperidin-1-ylmethyl)furan-3-carboxylic acid hydrochloride

CAS: 436099-78-4

Formula: C11H16ClNO3

SMILES: Cl.OC(=O)C1=C(CN2CCCCC2)OC=C1

IUPAC: 2-[(piperidin-1-yl)methyl]furan-3-carboxylic acid hydrochloride

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

Composition: C (53.77%), H (6.56%), Cl (14.43%), N (5.70%), O (19.53%)

Molar Mass: 245.7

Atom Count: 32

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	245.0818711
Formal Charge	0
FSP3	0.55
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	GUNHHVPRFINSEF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.39
Topological Polar Surface Area	53.68
Polarizability	21.4
Ring Count	2
Rotatable Bond Count	3

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