2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine

C15H22FNO2 — CID 117421939

IUPAC2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine
SMILESCOc1cc(C(C)F)c(C2CCCCN2)cc1OC
InChIInChI=1S/C15H22FNO2/c1-10(16)11-8-14(18-2)15(19-3)9-12(11)13-6-4-5-7-17-13/h8-10,13,17H,4-7H2,1-3H3
InChIKeyKOFZURSNBLNDDA-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.55
Rot. Bonds4

About 2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine

2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine (PubChem CID 117421939) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine.

Molecular Properties

Compound Name2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine
PubChem CID117421939
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine
SMILESCOc1cc(C(C)F)c(C2CCCCN2)cc1OC
InChIInChI=1S/C15H22FNO2/c1-10(16)11-8-14(18-2)15(19-3)9-12(11)13-6-4-5-7-17-13/h8-10,13,17H,4-7H2,1-3H3
InChIKeyKOFZURSNBLNDDA-UHFFFAOYSA-N
XLogP3.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethoxy-4-propan-2-ylphenyl)piperidine
CID 117413709
2-(2,4,5-trimethoxyphenyl)azepane
CID 62543409
2-(2-fluoro-5-methoxy-4-methylphenyl)piperidine
CID 84789182
2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]pyrrolidine
CID 84701267
2-[5-(1-fluoroethyl)-2-methoxyphenyl]pyrrolidine
CID 84688515
5-bromo-4-methoxy-2-piperidin-2-ylphenol
CID 117460918
2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]pyrrolidine
CID 117381690
(2S)-2-(4-fluoro-2-methoxyphenyl)piperidine
CID 96773994
2-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]piperidine
CID 117451731
2-[7-(1-fluoroethyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]pyrrolidine
CID 117417340
(2S)-2-(2-bromo-4,5-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 171196222
2-(5-bromo-2-fluoro-4-methoxyphenyl)piperidine
CID 84814359

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine?
The IUPAC name of 2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine (CID 117421939) is 2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine.
What is the SMILES notation for 2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine?
The canonical SMILES for 2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine is COc1cc(C(C)F)c(C2CCCCN2)cc1OC.
What is the InChIKey of 2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine?
The InChIKey is KOFZURSNBLNDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-10(16)11-8-14(18-2)15(19-3)9-12(11)13-6-4-5-7-17-13/h8-10,13,17H,4-7H2,1-3H3.
What are the key properties of 2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine?
2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine has a molecular weight of 267.34 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine is sourced from PubChem (CID 117421939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).