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

C12H15F2NO — CID 81268520

IUPAC3-[(2,6-difluorophenoxy)methyl]piperidine
SMILESFc1cccc(F)c1OCC1CCCNC1
InChIInChI=1S/C12H15F2NO/c13-10-4-1-5-11(14)12(10)16-8-9-3-2-6-15-7-9/h1,4-5,9,15H,2-3,6-8H2
InChIKeyAFZMGHDNGRSTLI-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.34
Rot. Bonds3

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

3-[(2,6-difluorophenoxy)methyl]piperidine (PubChem CID 81268520) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 3-[(2,6-difluorophenoxy)methyl]piperidine.

Molecular Properties

Compound Name3-[(2,6-difluorophenoxy)methyl]piperidine
PubChem CID81268520
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name3-[(2,6-difluorophenoxy)methyl]piperidine
SMILESFc1cccc(F)c1OCC1CCCNC1
InChIInChI=1S/C12H15F2NO/c13-10-4-1-5-11(14)12(10)16-8-9-3-2-6-15-7-9/h1,4-5,9,15H,2-3,6-8H2
InChIKeyAFZMGHDNGRSTLI-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[[2-fluoro-6-(2-methylpropoxy)phenoxy]methyl]piperidine
CID 68596622
difluoromethane;3-[(2-fluorophenoxy)methyl]piperidine
CID 166104221
(3S)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188575
(3R)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188571
(3S)-3-[(4-fluorophenoxy)methyl]piperidine
CID 42427122
3-[2-(2-chloro-6-fluorophenoxy)ethyl]piperidine
CID 83050877
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
(3S)-3-[[4-chloro-2-(2-fluoro-6-methoxyphenoxy)phenoxy]methyl]piperidine
CID 24774735
3-[[4-chloro-2-(2-fluoro-6-methoxyphenoxy)phenoxy]methyl]piperidine
CID 68595995
3-[(2-fluorophenyl)methoxymethyl]piperidine
CID 56831009
1-(2,6-difluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole
CID 11631528
1-(2,6-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole
CID 68534726

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-difluorophenoxy)methyl]piperidine?
The IUPAC name of 3-[(2,6-difluorophenoxy)methyl]piperidine (CID 81268520) is 3-[(2,6-difluorophenoxy)methyl]piperidine.
What is the SMILES notation for 3-[(2,6-difluorophenoxy)methyl]piperidine?
The canonical SMILES for 3-[(2,6-difluorophenoxy)methyl]piperidine is Fc1cccc(F)c1OCC1CCCNC1.
What is the InChIKey of 3-[(2,6-difluorophenoxy)methyl]piperidine?
The InChIKey is AFZMGHDNGRSTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-10-4-1-5-11(14)12(10)16-8-9-3-2-6-15-7-9/h1,4-5,9,15H,2-3,6-8H2.
What are the key properties of 3-[(2,6-difluorophenoxy)methyl]piperidine?
3-[(2,6-difluorophenoxy)methyl]piperidine has a molecular weight of 227.25 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-difluorophenoxy)methyl]piperidine is sourced from PubChem (CID 81268520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).