2-[2-(ethylaminomethyl)-6-fluorophenoxy]-1-piperidin-1-ylethanone

C16H23FN2O2 — CID 115953353

IUPAC2-[2-(ethylaminomethyl)-6-fluorophenoxy]-1-piperidin-1-ylethanone
SMILESCCNCc1cccc(F)c1OCC(=O)N1CCCCC1
InChIInChI=1S/C16H23FN2O2/c1-2-18-11-13-7-6-8-14(17)16(13)21-12-15(20)19-9-4-3-5-10-19/h6-8,18H,2-5,9-12H2,1H3
InChIKeyVCRRWRXXUDBOQH-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.33
Rot. Bonds6

About 2-[2-(ethylaminomethyl)-6-fluorophenoxy]-1-piperidin-1-ylethanone

2-[2-(ethylaminomethyl)-6-fluorophenoxy]-1-piperidin-1-ylethanone (PubChem CID 115953353) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-[2-(ethylaminomethyl)-6-fluorophenoxy]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(ethylaminomethyl)-6-fluorophenoxy]-1-piperidin-1-ylethanone
PubChem CID115953353
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name2-[2-(ethylaminomethyl)-6-fluorophenoxy]-1-piperidin-1-ylethanone
SMILESCCNCc1cccc(F)c1OCC(=O)N1CCCCC1
InChIInChI=1S/C16H23FN2O2/c1-2-18-11-13-7-6-8-14(17)16(13)21-12-15(20)19-9-4-3-5-10-19/h6-8,18H,2-5,9-12H2,1H3
InChIKeyVCRRWRXXUDBOQH-UHFFFAOYSA-N
XLogP2.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-methylacetamide
CID 112609657
2-[2-fluoro-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 115952550
methyl 2-[2-(ethylaminomethyl)-6-fluorophenoxy]acetate
CID 112609552
2-[2-chloro-6-(propylaminomethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 115953102
2-[2-(ethylaminomethyl)-6-methylphenoxy]-1-morpholin-4-ylethanone
CID 115952712
2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 115953315
2-[2-bromo-6-[(propan-2-ylamino)methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 61390455
2-[3-chloro-2-(ethylaminomethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 114319012
N-[[2-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 115953355
2-(2,6-difluorophenoxy)-1-piperazin-1-ylethanone
CID 81268372
3-[2-(ethylaminomethyl)-6-fluorophenoxy]-2-methylpropanamide
CID 112609547
2-(2,6-dichlorophenoxy)-1-pyrrolidin-1-ylethanone
CID 78765489

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylaminomethyl)-6-fluorophenoxy]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[2-(ethylaminomethyl)-6-fluorophenoxy]-1-piperidin-1-ylethanone (CID 115953353) is 2-[2-(ethylaminomethyl)-6-fluorophenoxy]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[2-(ethylaminomethyl)-6-fluorophenoxy]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[2-(ethylaminomethyl)-6-fluorophenoxy]-1-piperidin-1-ylethanone is CCNCc1cccc(F)c1OCC(=O)N1CCCCC1.
What is the InChIKey of 2-[2-(ethylaminomethyl)-6-fluorophenoxy]-1-piperidin-1-ylethanone?
The InChIKey is VCRRWRXXUDBOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-2-18-11-13-7-6-8-14(17)16(13)21-12-15(20)19-9-4-3-5-10-19/h6-8,18H,2-5,9-12H2,1H3.
What are the key properties of 2-[2-(ethylaminomethyl)-6-fluorophenoxy]-1-piperidin-1-ylethanone?
2-[2-(ethylaminomethyl)-6-fluorophenoxy]-1-piperidin-1-ylethanone has a molecular weight of 294.37 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylaminomethyl)-6-fluorophenoxy]-1-piperidin-1-ylethanone is sourced from PubChem (CID 115953353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).