3-[2-(piperidin-1-yl)ethoxy]benzoic acid

3-[2-(piperidin-1-yl)ethoxy]benzoic acid

CAS: 765270-93-7

Formula: C14H19NO3

SMILES: OC(=O)C1=CC(OCCN2CCCCC2)=CC=C1

IUPAC: 3-[2-(piperidin-1-yl)ethoxy]benzoic acid

InChI: InChI=1S/C14H19NO3/c16-14(17)12-5-4-6-13(11-12)18-10-9-15-7-2-1-3-8-15/h4-6,11H,1-3,7-10H2,(H,16,17)

Composition: C (67.45%), H (7.68%), N (5.62%), O (19.25%)

Molar Mass: 249.31

Atom Count: 37

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	249.136493476
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	NYOVKCSFMUODAF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.94
Topological Polar Surface Area	49.77
Polarizability	27.02
Ring Count	2
Rotatable Bond Count	5

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