piperidin-4-yl-[4-(trifluoromethoxy)phenyl]methanone

C13H14F3NO2 — CID 23081458

IUPACpiperidin-4-yl-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)cc1)C1CCNCC1
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)19-11-3-1-9(2-4-11)12(18)10-5-7-17-8-6-10/h1-4,10,17H,5-8H2
InChIKeyNWUDINOSTIWFEJ-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.77
Rot. Bonds3

About piperidin-4-yl-[4-(trifluoromethoxy)phenyl]methanone

piperidin-4-yl-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 23081458) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is piperidin-4-yl-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Namepiperidin-4-yl-[4-(trifluoromethoxy)phenyl]methanone
PubChem CID23081458
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Namepiperidin-4-yl-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)cc1)C1CCNCC1
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)19-11-3-1-9(2-4-11)12(18)10-5-7-17-8-6-10/h1-4,10,17H,5-8H2
InChIKeyNWUDINOSTIWFEJ-UHFFFAOYSA-N
XLogP2.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl formate;piperidin-4-yl-[4-(trifluoromethoxy)phenyl]methanone
CID 174725134
cyclohexyl-[4-(trifluoromethoxy)phenyl]methanone
CID 114962182
piperidin-3-yl-[6-(trifluoromethoxy)naphthalen-2-yl]methanone
CID 177314079
(3,5-dimethylcyclohexyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 114975308
piperidin-4-yl-(4-trimethylsilyloxyphenyl)methanone
CID 167722571
(4-hydroxyphenyl)-piperidin-4-ylmethanone;hydrochloride
CID 13180305
N-ethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 123473878
N-[(3R)-pyrrolidin-3-yl]-4-[4-(trifluoromethoxy)phenyl]benzamide
CID 126431501
(4-fluorophenyl)-[1-[3-(trifluoromethoxy)benzoyl]piperidin-4-yl]methanone
CID 10046202
[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 134093506
methyl 4-[(3R)-pyrrolidine-3-carbonyl]benzoate
CID 99934590
N-(azepan-3-yl)-4-(trifluoromethoxy)benzamide
CID 116629081

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl-[4-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of piperidin-4-yl-[4-(trifluoromethoxy)phenyl]methanone (CID 23081458) is piperidin-4-yl-[4-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for piperidin-4-yl-[4-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for piperidin-4-yl-[4-(trifluoromethoxy)phenyl]methanone is O=C(c1ccc(OC(F)(F)F)cc1)C1CCNCC1.
What is the InChIKey of piperidin-4-yl-[4-(trifluoromethoxy)phenyl]methanone?
The InChIKey is NWUDINOSTIWFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c14-13(15,16)19-11-3-1-9(2-4-11)12(18)10-5-7-17-8-6-10/h1-4,10,17H,5-8H2.
What are the key properties of piperidin-4-yl-[4-(trifluoromethoxy)phenyl]methanone?
piperidin-4-yl-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 273.25 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 23081458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).