4-[(2,3,6-trifluorophenyl)methoxy]piperidine

C12H14F3NO — CID 68519539

IUPAC4-[(2,3,6-trifluorophenyl)methoxy]piperidine
SMILESFc1ccc(F)c(COC2CCNCC2)c1F
InChIInChI=1S/C12H14F3NO/c13-10-1-2-11(14)12(15)9(10)7-17-8-3-5-16-6-4-8/h1-2,8,16H,3-7H2
InChIKeyZYMGRRFYHCQJJV-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.37
Rot. Bonds3

About 4-[(2,3,6-trifluorophenyl)methoxy]piperidine

4-[(2,3,6-trifluorophenyl)methoxy]piperidine (PubChem CID 68519539) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 4-[(2,3,6-trifluorophenyl)methoxy]piperidine.

Molecular Properties

Compound Name4-[(2,3,6-trifluorophenyl)methoxy]piperidine
PubChem CID68519539
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name4-[(2,3,6-trifluorophenyl)methoxy]piperidine
SMILESFc1ccc(F)c(COC2CCNCC2)c1F
InChIInChI=1S/C12H14F3NO/c13-10-1-2-11(14)12(15)9(10)7-17-8-3-5-16-6-4-8/h1-2,8,16H,3-7H2
InChIKeyZYMGRRFYHCQJJV-UHFFFAOYSA-N
XLogP2.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-[(3,4-difluorophenyl)methoxy]piperidine
CID 67355988
4-[(4-chlorophenyl)methoxy]piperidine
CID 13194424
1-bromo-3-(cyclobutyloxymethyl)-2,4-difluorobenzene
CID 106269971
1-bromo-3-(cyclopentyloxymethyl)-2,4-difluorobenzene
CID 106269710
1-bromo-2,4-difluoro-3-[(4-methylcyclohexyl)oxymethyl]benzene
CID 106269828
4-[(3-chloro-2-fluorophenyl)methoxy]piperidine
CID 103695215
4-[(3-fluoro-4-methoxyphenyl)methoxy]piperidine
CID 43167840
4-[(1-fluoronaphthalen-2-yl)methoxy]piperidine;hydrochloride
CID 67594856
4-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidine
CID 68521915
3-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methylpiperidine
CID 106264583
4-[(3-bromo-2,6-difluorophenyl)methoxy]cyclohexane-1-carboxylic acid
CID 106262887
4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]piperidine
CID 122238069

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3,6-trifluorophenyl)methoxy]piperidine?
The IUPAC name of 4-[(2,3,6-trifluorophenyl)methoxy]piperidine (CID 68519539) is 4-[(2,3,6-trifluorophenyl)methoxy]piperidine.
What is the SMILES notation for 4-[(2,3,6-trifluorophenyl)methoxy]piperidine?
The canonical SMILES for 4-[(2,3,6-trifluorophenyl)methoxy]piperidine is Fc1ccc(F)c(COC2CCNCC2)c1F.
What is the InChIKey of 4-[(2,3,6-trifluorophenyl)methoxy]piperidine?
The InChIKey is ZYMGRRFYHCQJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-10-1-2-11(14)12(15)9(10)7-17-8-3-5-16-6-4-8/h1-2,8,16H,3-7H2.
What are the key properties of 4-[(2,3,6-trifluorophenyl)methoxy]piperidine?
4-[(2,3,6-trifluorophenyl)methoxy]piperidine has a molecular weight of 245.24 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3,6-trifluorophenyl)methoxy]piperidine is sourced from PubChem (CID 68519539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).