4-[4-[(2,6-difluorophenoxy)methyl]thiophen-3-yl]piperidine

C16H17F2NOS — CID 53390873

IUPAC4-[4-[(2,6-difluorophenoxy)methyl]thiophen-3-yl]piperidine
SMILESFc1cccc(F)c1OCc1cscc1C1CCNCC1
InChIInChI=1S/C16H17F2NOS/c17-14-2-1-3-15(18)16(14)20-8-12-9-21-10-13(12)11-4-6-19-7-5-11/h1-3,9-11,19H,4-8H2
InChIKeyLMZYKFGKPYYUOB-UHFFFAOYSA-N
MW309.38 g/mol
LogP4.07
Rot. Bonds4

About 4-[4-[(2,6-difluorophenoxy)methyl]thiophen-3-yl]piperidine

4-[4-[(2,6-difluorophenoxy)methyl]thiophen-3-yl]piperidine (PubChem CID 53390873) has the molecular formula C16H17F2NOS and a molecular weight of 309.38 g/mol. Its IUPAC name is 4-[4-[(2,6-difluorophenoxy)methyl]thiophen-3-yl]piperidine.

Molecular Properties

Compound Name4-[4-[(2,6-difluorophenoxy)methyl]thiophen-3-yl]piperidine
PubChem CID53390873
Molecular FormulaC16H17F2NOS
Molecular Weight309.38 g/mol
Exact Mass309.10
IUPAC Name4-[4-[(2,6-difluorophenoxy)methyl]thiophen-3-yl]piperidine
SMILESFc1cccc(F)c1OCc1cscc1C1CCNCC1
InChIInChI=1S/C16H17F2NOS/c17-14-2-1-3-15(18)16(14)20-8-12-9-21-10-13(12)11-4-6-19-7-5-11/h1-3,9-11,19H,4-8H2
InChIKeyLMZYKFGKPYYUOB-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2,6-difluorophenoxy)methyl]thiophen-3-yl]piperidine?
The IUPAC name of 4-[4-[(2,6-difluorophenoxy)methyl]thiophen-3-yl]piperidine (CID 53390873) is 4-[4-[(2,6-difluorophenoxy)methyl]thiophen-3-yl]piperidine.
What is the SMILES notation for 4-[4-[(2,6-difluorophenoxy)methyl]thiophen-3-yl]piperidine?
The canonical SMILES for 4-[4-[(2,6-difluorophenoxy)methyl]thiophen-3-yl]piperidine is Fc1cccc(F)c1OCc1cscc1C1CCNCC1.
What is the InChIKey of 4-[4-[(2,6-difluorophenoxy)methyl]thiophen-3-yl]piperidine?
The InChIKey is LMZYKFGKPYYUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NOS/c17-14-2-1-3-15(18)16(14)20-8-12-9-21-10-13(12)11-4-6-19-7-5-11/h1-3,9-11,19H,4-8H2.
What are the key properties of 4-[4-[(2,6-difluorophenoxy)methyl]thiophen-3-yl]piperidine?
4-[4-[(2,6-difluorophenoxy)methyl]thiophen-3-yl]piperidine has a molecular weight of 309.38 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2,6-difluorophenoxy)methyl]thiophen-3-yl]piperidine is sourced from PubChem (CID 53390873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).