piperidin-4-yl 4-fluorobenzoate

C12H14FNO2 — CID 22921983

IUPACpiperidin-4-yl 4-fluorobenzoate
SMILESO=C(OC1CCNCC1)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO2/c13-10-3-1-9(2-4-10)12(15)16-11-5-7-14-8-6-11/h1-4,11,14H,5-8H2
InChIKeyQXXFPPGDRYRNHF-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.73
Rot. Bonds2

About piperidin-4-yl 4-fluorobenzoate

piperidin-4-yl 4-fluorobenzoate (PubChem CID 22921983) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is piperidin-4-yl 4-fluorobenzoate.

Molecular Properties

Compound Namepiperidin-4-yl 4-fluorobenzoate
PubChem CID22921983
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Namepiperidin-4-yl 4-fluorobenzoate
SMILESO=C(OC1CCNCC1)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO2/c13-10-3-1-9(2-4-10)12(15)16-11-5-7-14-8-6-11/h1-4,11,14H,5-8H2
InChIKeyQXXFPPGDRYRNHF-UHFFFAOYSA-N
XLogP1.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl 4-fluorobenzoate
CID 126986458
piperidin-4-yl 4-[(4-fluorobenzoyl)amino]benzoate;hydrochloride
CID 91645336
cyclopentyl 4-fluorobenzoate
CID 579482
piperidin-4-yl pyridine-4-carboxylate
CID 53410138
(1-methylpiperidin-1-ium-4-yl) 4-fluorobenzoate
CID 7283235
piperidin-4-yl 3-[(4-fluorobenzoyl)amino]benzoate;hydrochloride
CID 102560121
oxolan-3-yl 4-fluorobenzoate
CID 63663417
piperidin-4-yl 4-(4,4,4-trifluorobutanoylamino)benzoate
CID 86813781
piperidin-4-yl 3-(trifluoromethyl)benzoate
CID 162771690
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-fluorobenzoate
CID 5147770
dipiperidin-4-yl carbonate
CID 129132812
pyrrolidin-3-yl 4-methoxybenzoate;hydrochloride
CID 53409824

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl 4-fluorobenzoate?
The IUPAC name of piperidin-4-yl 4-fluorobenzoate (CID 22921983) is piperidin-4-yl 4-fluorobenzoate.
What is the SMILES notation for piperidin-4-yl 4-fluorobenzoate?
The canonical SMILES for piperidin-4-yl 4-fluorobenzoate is O=C(OC1CCNCC1)c1ccc(F)cc1.
What is the InChIKey of piperidin-4-yl 4-fluorobenzoate?
The InChIKey is QXXFPPGDRYRNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-10-3-1-9(2-4-10)12(15)16-11-5-7-14-8-6-11/h1-4,11,14H,5-8H2.
What are the key properties of piperidin-4-yl 4-fluorobenzoate?
piperidin-4-yl 4-fluorobenzoate has a molecular weight of 223.25 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl 4-fluorobenzoate is sourced from PubChem (CID 22921983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).