4-methyl-4-(2,3,4-trifluorophenoxy)piperidine

C12H14F3NO — CID 117051239

IUPAC4-methyl-4-(2,3,4-trifluorophenoxy)piperidine
SMILESCC1(Oc2ccc(F)c(F)c2F)CCNCC1
InChIInChI=1S/C12H14F3NO/c1-12(4-6-16-7-5-12)17-9-3-2-8(13)10(14)11(9)15/h2-3,16H,4-7H2,1H3
InChIKeyIILCOYOGPONEAP-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.62
Rot. Bonds2

About 4-methyl-4-(2,3,4-trifluorophenoxy)piperidine

4-methyl-4-(2,3,4-trifluorophenoxy)piperidine (PubChem CID 117051239) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 4-methyl-4-(2,3,4-trifluorophenoxy)piperidine.

Molecular Properties

Compound Name4-methyl-4-(2,3,4-trifluorophenoxy)piperidine
PubChem CID117051239
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name4-methyl-4-(2,3,4-trifluorophenoxy)piperidine
SMILESCC1(Oc2ccc(F)c(F)c2F)CCNCC1
InChIInChI=1S/C12H14F3NO/c1-12(4-6-16-7-5-12)17-9-3-2-8(13)10(14)11(9)15/h2-3,16H,4-7H2,1H3
InChIKeyIILCOYOGPONEAP-UHFFFAOYSA-N
XLogP2.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(2,3,4-trifluorophenoxy)piperidine?
The IUPAC name of 4-methyl-4-(2,3,4-trifluorophenoxy)piperidine (CID 117051239) is 4-methyl-4-(2,3,4-trifluorophenoxy)piperidine.
What is the SMILES notation for 4-methyl-4-(2,3,4-trifluorophenoxy)piperidine?
The canonical SMILES for 4-methyl-4-(2,3,4-trifluorophenoxy)piperidine is CC1(Oc2ccc(F)c(F)c2F)CCNCC1.
What is the InChIKey of 4-methyl-4-(2,3,4-trifluorophenoxy)piperidine?
The InChIKey is IILCOYOGPONEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-12(4-6-16-7-5-12)17-9-3-2-8(13)10(14)11(9)15/h2-3,16H,4-7H2,1H3.
What are the key properties of 4-methyl-4-(2,3,4-trifluorophenoxy)piperidine?
4-methyl-4-(2,3,4-trifluorophenoxy)piperidine has a molecular weight of 245.24 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(2,3,4-trifluorophenoxy)piperidine is sourced from PubChem (CID 117051239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).