piperidin-4-yl 3-(trifluoromethyl)benzoate

C13H14F3NO2 — CID 162771690

IUPACpiperidin-4-yl 3-(trifluoromethyl)benzoate
SMILESO=C(OC1CCNCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)10-3-1-2-9(8-10)12(18)19-11-4-6-17-7-5-11/h1-3,8,11,17H,4-7H2
InChIKeyZHMDTFNXXPMPPC-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.61
Rot. Bonds2

About piperidin-4-yl 3-(trifluoromethyl)benzoate

piperidin-4-yl 3-(trifluoromethyl)benzoate (PubChem CID 162771690) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is piperidin-4-yl 3-(trifluoromethyl)benzoate.

Molecular Properties

Compound Namepiperidin-4-yl 3-(trifluoromethyl)benzoate
PubChem CID162771690
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Namepiperidin-4-yl 3-(trifluoromethyl)benzoate
SMILESO=C(OC1CCNCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)10-3-1-2-9(8-10)12(18)19-11-4-6-17-7-5-11/h1-3,8,11,17H,4-7H2
InChIKeyZHMDTFNXXPMPPC-UHFFFAOYSA-N
XLogP2.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

piperidin-4-yl N-[3-(trifluoromethyl)phenyl]carbamate
CID 79337898
piperidin-4-yl 4-fluorobenzoate
CID 22921983
piperidin-4-yl 3-[(4-fluorobenzoyl)amino]benzoate;hydrochloride
CID 102560121
bromo 3-(trifluoromethyl)benzoate
CID 121344380
N-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]-3-(trifluoromethyl)benzamide
CID 18426164
(2-ethylcyclohexyl) 3-(trifluoromethyl)benzoate
CID 599330
pyrrolidin-3-yl N-[3-(trifluoromethyl)phenyl]carbamate
CID 79337084
2,2,2-trichloroethyl (1S,5R)-3-[3-(trifluoromethyl)benzoyl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 11751859
cyclopentyl 4-(trifluoromethyl)benzoate
CID 599230
piperidin-4-yl pyridine-4-carboxylate
CID 53410138
N-[(3S,4S)-3-methoxypiperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 54389521
pyrrolidin-3-yl-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
CID 119720576

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl 3-(trifluoromethyl)benzoate?
The IUPAC name of piperidin-4-yl 3-(trifluoromethyl)benzoate (CID 162771690) is piperidin-4-yl 3-(trifluoromethyl)benzoate.
What is the SMILES notation for piperidin-4-yl 3-(trifluoromethyl)benzoate?
The canonical SMILES for piperidin-4-yl 3-(trifluoromethyl)benzoate is O=C(OC1CCNCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of piperidin-4-yl 3-(trifluoromethyl)benzoate?
The InChIKey is ZHMDTFNXXPMPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c14-13(15,16)10-3-1-2-9(8-10)12(18)19-11-4-6-17-7-5-11/h1-3,8,11,17H,4-7H2.
What are the key properties of piperidin-4-yl 3-(trifluoromethyl)benzoate?
piperidin-4-yl 3-(trifluoromethyl)benzoate has a molecular weight of 273.25 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl 3-(trifluoromethyl)benzoate is sourced from PubChem (CID 162771690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).