2-[[3-(1-fluoroethyl)phenoxy]methyl]piperidine

C14H20FNO — CID 115042134

IUPAC2-[[3-(1-fluoroethyl)phenoxy]methyl]piperidine
SMILESCC(F)c1cccc(OCC2CCCCN2)c1
InChIInChI=1S/C14H20FNO/c1-11(15)12-5-4-7-14(9-12)17-10-13-6-2-3-8-16-13/h4-5,7,9,11,13,16H,2-3,6,8,10H2,1H3
InChIKeyMLRHKGACEDYXIX-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.24
Rot. Bonds4

About 2-[[3-(1-fluoroethyl)phenoxy]methyl]piperidine

2-[[3-(1-fluoroethyl)phenoxy]methyl]piperidine (PubChem CID 115042134) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[[3-(1-fluoroethyl)phenoxy]methyl]piperidine.

Molecular Properties

Compound Name2-[[3-(1-fluoroethyl)phenoxy]methyl]piperidine
PubChem CID115042134
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-[[3-(1-fluoroethyl)phenoxy]methyl]piperidine
SMILESCC(F)c1cccc(OCC2CCCCN2)c1
InChIInChI=1S/C14H20FNO/c1-11(15)12-5-4-7-14(9-12)17-10-13-6-2-3-8-16-13/h4-5,7,9,11,13,16H,2-3,6,8,10H2,1H3
InChIKeyMLRHKGACEDYXIX-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(piperidin-2-ylmethoxy)benzonitrile
CID 63297477
2-[2-(3-methoxyphenyl)propyl]piperidine
CID 105493505
(2R)-2-(naphthalen-2-yloxymethyl)piperidine
CID 26192553
(2R)-2-[[3-(methoxymethyl)phenoxy]methyl]pyrrolidine
CID 102820162
2-[[3-(methoxymethyl)phenoxy]methyl]pyrrolidine
CID 63985573
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
(2S)-2-[(4-methyl-3-propan-2-ylphenoxy)methyl]pyrrolidine
CID 176600541
N-(2-methylpropyl)-3-(pyrrolidin-2-ylmethoxy)benzamide
CID 141311603
methyl 3-[[(2S)-pyrrolidin-2-yl]methoxy]benzoate
CID 162750790
2-bromo-4-(piperidin-2-ylmethoxy)benzonitrile
CID 107281541
4-(piperidin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile
CID 62349150
N-[3-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]acetamide;hydrochloride
CID 67804532

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1-fluoroethyl)phenoxy]methyl]piperidine?
The IUPAC name of 2-[[3-(1-fluoroethyl)phenoxy]methyl]piperidine (CID 115042134) is 2-[[3-(1-fluoroethyl)phenoxy]methyl]piperidine.
What is the SMILES notation for 2-[[3-(1-fluoroethyl)phenoxy]methyl]piperidine?
The canonical SMILES for 2-[[3-(1-fluoroethyl)phenoxy]methyl]piperidine is CC(F)c1cccc(OCC2CCCCN2)c1.
What is the InChIKey of 2-[[3-(1-fluoroethyl)phenoxy]methyl]piperidine?
The InChIKey is MLRHKGACEDYXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-11(15)12-5-4-7-14(9-12)17-10-13-6-2-3-8-16-13/h4-5,7,9,11,13,16H,2-3,6,8,10H2,1H3.
What are the key properties of 2-[[3-(1-fluoroethyl)phenoxy]methyl]piperidine?
2-[[3-(1-fluoroethyl)phenoxy]methyl]piperidine has a molecular weight of 237.32 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1-fluoroethyl)phenoxy]methyl]piperidine is sourced from PubChem (CID 115042134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).