3-(3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one

C14H18FNO2 — CID 60739345

IUPAC3-(3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCOc1cccc(F)c1)N1CCCCC1
InChIInChI=1S/C14H18FNO2/c15-12-5-4-6-13(11-12)18-10-7-14(17)16-8-2-1-3-9-16/h4-6,11H,1-3,7-10H2
InChIKeyCLLNZVZNEGPCOJ-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.61
Rot. Bonds4

About 3-(3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one

3-(3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one (PubChem CID 60739345) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-(3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one
PubChem CID60739345
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name3-(3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCOc1cccc(F)c1)N1CCCCC1
InChIInChI=1S/C14H18FNO2/c15-12-5-4-6-13(11-12)18-10-7-14(17)16-8-2-1-3-9-16/h4-6,11H,1-3,7-10H2
InChIKeyCLLNZVZNEGPCOJ-UHFFFAOYSA-N
XLogP2.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93041279
3-(3-bromophenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 60629350
3-(3-fluorophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62916919
4-(3-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one
CID 119563084
4-(3-fluorophenoxy)-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]butan-1-one
CID 55941073
4-(3-bromophenoxy)-1-pyrrolidin-1-ylbutan-1-one
CID 112760327
1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-3-(3-fluorophenoxy)propan-1-one
CID 95293526
1-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-4-phenoxybutan-1-one
CID 108547017
1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-4-(3-fluorophenoxy)butan-1-one
CID 55939281
1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-3-(3-fluorophenoxy)propan-1-one
CID 95163577
(2R)-1-acetyl-4-[3-(3-fluorophenoxy)propanoyl]-N-methylpiperazine-2-carboxamide
CID 124943012
1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-3-phenoxypropan-1-one
CID 110798374

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-(3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one (CID 60739345) is 3-(3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-(3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one is O=C(CCOc1cccc(F)c1)N1CCCCC1.
What is the InChIKey of 3-(3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one?
The InChIKey is CLLNZVZNEGPCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-12-5-4-6-13(11-12)18-10-7-14(17)16-8-2-1-3-9-16/h4-6,11H,1-3,7-10H2.
What are the key properties of 3-(3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one?
3-(3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one has a molecular weight of 251.30 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 60739345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).