4-ethoxy-3-(piperidin-1-yl)benzoic acid

4-ethoxy-3-(piperidin-1-yl)benzoic acid

CAS: 946710-83-4

Formula: C14H19NO3

SMILES: CCOC1=C(C=C(C=C1)C(O)=O)N1CCCCC1

IUPAC: 4-ethoxy-3-(piperidin-1-yl)benzoic acid

InChI: InChI=1S/C14H19NO3/c1-2-18-13-7-6-11(14(16)17)10-12(13)15-8-4-3-5-9-15/h6-7,10H,2-5,8-9H2,1H3,(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	ZQVFSUBNQLLUQI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.1
Topological Polar Surface Area	49.77
Polarizability	26.64
Ring Count	2
Rotatable Bond Count	4

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