1-(4-fluorobenzoyl)piperidine-4-carboxylic acid

1-(4-fluorobenzoyl)piperidine-4-carboxylic acid

CAS: 139679-45-1

Formula: C13H14FNO3

SMILES: OC(=O)C1CCN(CC1)C(=O)C1=CC=C(F)C=C1

IUPAC: 1-(4-fluorobenzoyl)piperidine-4-carboxylic acid

InChI: InChI=1S/C13H14FNO3/c14-11-3-1-9(2-4-11)12(16)15-7-5-10(6-8-15)13(17)18/h1-4,10H,5-8H2,(H,17,18)

Composition: C (62.14%), H (5.62%), F (7.56%), N (5.57%), O (19.10%)

Molar Mass: 251.257

Atom Count: 32

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	251.095771478
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	NOBBVBPNOXXVPA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.53
Topological Polar Surface Area	57.61
Polarizability	23.76
Ring Count	2
Rotatable Bond Count	2

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