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

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

CAS: 435345-25-8

Formula: C12H18ClNO3

SMILES: Cl.CC1=C(OC(CN2CCCCC2)=C1)C(O)=O

IUPAC: 3-methyl-5-[(piperidin-1-yl)methyl]furan-2-carboxylic acid hydrochloride

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

Composition: C (55.49%), H (6.99%), Cl (13.65%), N (5.39%), O (18.48%)

Molar Mass: 259.73

Atom Count: 35

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	259.0975211
Formal Charge	0
FSP3	0.58
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	DPKYWRQUPGGJRX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.31
Topological Polar Surface Area	53.68
Polarizability	23.16
Ring Count	2
Rotatable Bond Count	3

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