4-ethoxy-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine

C15H22FNO2 — CID 77089960

IUPAC4-ethoxy-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine
SMILESCCOC1CCN(Cc2ccc(OC)cc2F)CC1
InChIInChI=1S/C15H22FNO2/c1-3-19-13-6-8-17(9-7-13)11-12-4-5-14(18-2)10-15(12)16/h4-5,10,13H,3,6-9,11H2,1-2H3
InChIKeyWHWNJGOCNVLSNY-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.84
Rot. Bonds5

About 4-ethoxy-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine

4-ethoxy-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine (PubChem CID 77089960) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 4-ethoxy-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-ethoxy-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine
PubChem CID77089960
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name4-ethoxy-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine
SMILESCCOC1CCN(Cc2ccc(OC)cc2F)CC1
InChIInChI=1S/C15H22FNO2/c1-3-19-13-6-8-17(9-7-13)11-12-4-5-14(18-2)10-15(12)16/h4-5,10,13H,3,6-9,11H2,1-2H3
InChIKeyWHWNJGOCNVLSNY-UHFFFAOYSA-N
XLogP2.84
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-ethoxypiperidin-1-yl)methyl]-4-methoxyaniline
CID 115413849
1-[(2-fluoro-4-methoxyphenyl)methyl]-N-propylpiperidin-4-amine
CID 102875898
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 102878603
N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 102877030
1-[(2-fluoro-4-methoxyphenyl)methyl]-4-pyrrolidin-2-ylpiperidine
CID 102877734
3-ethyl-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine
CID 102875920
methyl 1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3-carboxylate
CID 102878542
N-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-ylidene]hydroxylamine
CID 102876940
4-[(2-fluoro-4-methoxyphenyl)methoxy]cyclohexan-1-amine
CID 102876123
1-[(2-fluoro-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine
CID 102877748
(3R,4R)-4-(azepan-1-yl)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
CID 26317541
3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propanoic acid
CID 102877392

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine?
The IUPAC name of 4-ethoxy-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine (CID 77089960) is 4-ethoxy-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for 4-ethoxy-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine?
The canonical SMILES for 4-ethoxy-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine is CCOC1CCN(Cc2ccc(OC)cc2F)CC1.
What is the InChIKey of 4-ethoxy-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine?
The InChIKey is WHWNJGOCNVLSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-3-19-13-6-8-17(9-7-13)11-12-4-5-14(18-2)10-15(12)16/h4-5,10,13H,3,6-9,11H2,1-2H3.
What are the key properties of 4-ethoxy-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine?
4-ethoxy-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine has a molecular weight of 267.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 77089960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).