1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-phenoxypropan-1-one

C21H24FNO3 — CID 110638619

IUPAC1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)N1CCCC(COc2ccccc2F)C1
InChIInChI=1S/C21H24FNO3/c22-19-10-4-5-11-20(19)26-16-17-7-6-13-23(15-17)21(24)12-14-25-18-8-2-1-3-9-18/h1-5,8-11,17H,6-7,12-16H2
InChIKeyONETVLAOUXTHCJ-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.91
Rot. Bonds7

About 1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-phenoxypropan-1-one

1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-phenoxypropan-1-one (PubChem CID 110638619) has the molecular formula C21H24FNO3 and a molecular weight of 357.42 g/mol. Its IUPAC name is 1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-phenoxypropan-1-one
PubChem CID110638619
Molecular FormulaC21H24FNO3
Molecular Weight357.42 g/mol
Exact Mass357.17
IUPAC Name1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)N1CCCC(COc2ccccc2F)C1
InChIInChI=1S/C21H24FNO3/c22-19-10-4-5-11-20(19)26-16-17-7-6-13-23(15-17)21(24)12-14-25-18-8-2-1-3-9-18/h1-5,8-11,17H,6-7,12-16H2
InChIKeyONETVLAOUXTHCJ-UHFFFAOYSA-N
XLogP3.91
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenoxy)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43403252
2-chloro-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone
CID 162679483
4-phenoxy-1-[3-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 110638417
N-[1-[2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide
CID 45242304
3-amino-1-[3-(phenoxymethyl)piperidin-1-yl]propan-1-one
CID 102560007
1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 70712182
3-[(3S)-1-(3-phenoxypropanoyl)piperidin-3-yl]propanoic acid
CID 124700081
1-[3-(phenoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110638413
3-[(3S)-1-[3-(4-fluorophenoxy)propanoyl]piperidin-3-yl]propanoic acid
CID 129415349
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110638610
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(2-fluorophenoxy)propan-1-one
CID 119484287
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638623

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-phenoxypropan-1-one?
The IUPAC name of 1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-phenoxypropan-1-one (CID 110638619) is 1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-phenoxypropan-1-one.
What is the SMILES notation for 1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-phenoxypropan-1-one?
The canonical SMILES for 1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-phenoxypropan-1-one is O=C(CCOc1ccccc1)N1CCCC(COc2ccccc2F)C1.
What is the InChIKey of 1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-phenoxypropan-1-one?
The InChIKey is ONETVLAOUXTHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO3/c22-19-10-4-5-11-20(19)26-16-17-7-6-13-23(15-17)21(24)12-14-25-18-8-2-1-3-9-18/h1-5,8-11,17H,6-7,12-16H2.
What are the key properties of 1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-phenoxypropan-1-one?
1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-phenoxypropan-1-one has a molecular weight of 357.42 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-phenoxypropan-1-one is sourced from PubChem (CID 110638619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).