(3S)-3-[[2-fluoro-6-(2-methylpropoxy)phenoxy]methyl]piperidine

C16H24FNO2 — CID 68596622

IUPAC(3S)-3-[[2-fluoro-6-(2-methylpropoxy)phenoxy]methyl]piperidine
SMILESCC(C)COc1cccc(F)c1OC[C@H]1CCCNC1
InChIInChI=1S/C16H24FNO2/c1-12(2)10-19-15-7-3-6-14(17)16(15)20-11-13-5-4-8-18-9-13/h3,6-7,12-13,18H,4-5,8-11H2,1-2H3/t13-/m0/s1
InChIKeyRAJLOEWGUGAWBE-ZDUSSCGKSA-N
MW281.37 g/mol
LogP3.24
Rot. Bonds6

About (3S)-3-[[2-fluoro-6-(2-methylpropoxy)phenoxy]methyl]piperidine

(3S)-3-[[2-fluoro-6-(2-methylpropoxy)phenoxy]methyl]piperidine (PubChem CID 68596622) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is (3S)-3-[[2-fluoro-6-(2-methylpropoxy)phenoxy]methyl]piperidine.

Molecular Properties

Compound Name(3S)-3-[[2-fluoro-6-(2-methylpropoxy)phenoxy]methyl]piperidine
PubChem CID68596622
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name(3S)-3-[[2-fluoro-6-(2-methylpropoxy)phenoxy]methyl]piperidine
SMILESCC(C)COc1cccc(F)c1OC[C@H]1CCCNC1
InChIInChI=1S/C16H24FNO2/c1-12(2)10-19-15-7-3-6-14(17)16(15)20-11-13-5-4-8-18-9-13/h3,6-7,12-13,18H,4-5,8-11H2,1-2H3/t13-/m0/s1
InChIKeyRAJLOEWGUGAWBE-ZDUSSCGKSA-N
XLogP3.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2-methylpropoxy)phenoxy]methyl]piperidine
CID 68596368
3-[(2,6-difluorophenoxy)methyl]piperidine
CID 81268520
difluoromethane;3-[(2-fluorophenoxy)methyl]piperidine
CID 166104221
3-[[4-chloro-2-(2-fluoro-6-methoxyphenoxy)phenoxy]methyl]piperidine
CID 68595995
(3S)-3-[[4-chloro-2-(2-fluoro-6-methoxyphenoxy)phenoxy]methyl]piperidine
CID 24774735
2-(2-fluoro-6-methoxyphenoxy)-6-methyl-3-(piperidin-3-ylmethoxy)pyridine
CID 68596012
(3S)-3-[(4-fluorophenoxy)methyl]piperidine
CID 42427122
3-[(2-methylphenoxy)methyl]piperidine
CID 18524094
(3S)-3-[(2-fluorophenoxy)methyl]pyrrolidine
CID 86316087
(3R)-3-[(4-fluoro-2-methylphenoxy)methyl]piperidine
CID 92670023
(3S)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188575
(3R)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188571

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[2-fluoro-6-(2-methylpropoxy)phenoxy]methyl]piperidine?
The IUPAC name of (3S)-3-[[2-fluoro-6-(2-methylpropoxy)phenoxy]methyl]piperidine (CID 68596622) is (3S)-3-[[2-fluoro-6-(2-methylpropoxy)phenoxy]methyl]piperidine.
What is the SMILES notation for (3S)-3-[[2-fluoro-6-(2-methylpropoxy)phenoxy]methyl]piperidine?
The canonical SMILES for (3S)-3-[[2-fluoro-6-(2-methylpropoxy)phenoxy]methyl]piperidine is CC(C)COc1cccc(F)c1OC[C@H]1CCCNC1.
What is the InChIKey of (3S)-3-[[2-fluoro-6-(2-methylpropoxy)phenoxy]methyl]piperidine?
The InChIKey is RAJLOEWGUGAWBE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-12(2)10-19-15-7-3-6-14(17)16(15)20-11-13-5-4-8-18-9-13/h3,6-7,12-13,18H,4-5,8-11H2,1-2H3/t13-/m0/s1.
What are the key properties of (3S)-3-[[2-fluoro-6-(2-methylpropoxy)phenoxy]methyl]piperidine?
(3S)-3-[[2-fluoro-6-(2-methylpropoxy)phenoxy]methyl]piperidine has a molecular weight of 281.37 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[2-fluoro-6-(2-methylpropoxy)phenoxy]methyl]piperidine is sourced from PubChem (CID 68596622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).