1-[3-(3,4-difluorophenoxy)propyl]piperidin-4-one

C14H17F2NO2 — CID 39367532

IUPAC1-[3-(3,4-difluorophenoxy)propyl]piperidin-4-one
SMILESO=C1CCN(CCCOc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H17F2NO2/c15-13-3-2-12(10-14(13)16)19-9-1-6-17-7-4-11(18)5-8-17/h2-3,10H,1,4-9H2
InChIKeyUVOGDWPHWFZQJL-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.40
Rot. Bonds5

About 1-[3-(3,4-difluorophenoxy)propyl]piperidin-4-one

1-[3-(3,4-difluorophenoxy)propyl]piperidin-4-one (PubChem CID 39367532) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 1-[3-(3,4-difluorophenoxy)propyl]piperidin-4-one.

Molecular Properties

Compound Name1-[3-(3,4-difluorophenoxy)propyl]piperidin-4-one
PubChem CID39367532
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name1-[3-(3,4-difluorophenoxy)propyl]piperidin-4-one
SMILESO=C1CCN(CCCOc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H17F2NO2/c15-13-3-2-12(10-14(13)16)19-9-1-6-17-7-4-11(18)5-8-17/h2-3,10H,1,4-9H2
InChIKeyUVOGDWPHWFZQJL-UHFFFAOYSA-N
XLogP2.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidin-4-one
CID 71605093
1-[3-(4-nitrophenoxy)propyl]piperidin-4-one
CID 46203824
1-[4-(3,4-difluorophenoxy)butyl]-N-ethylpiperidin-4-amine;hydrochloride
CID 18511685
1-(3,4-difluorophenyl)sulfonyl-4-[3-(4-fluorophenoxy)propyl]piperazine
CID 27634956
1-(2-phenoxyethyl)piperidin-4-one
CID 70278679
1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-one
CID 39357245
4-[2-(4-oxopiperidin-1-yl)ethoxy]benzoic acid
CID 22685674
(1S)-1-[2-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
CID 107720623
1-[3-(2-bromophenoxy)propyl]piperidin-4-one
CID 39452155
1-[1-[4-(3,4-difluorophenoxy)butyl]piperidin-4-yl]-3-(2,6-difluorophenyl)-1-methylthiourea
CID 18511639
1-[2-(3,4-difluorophenyl)-2-oxoethyl]piperidin-4-one
CID 62050662
1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrrolidine
CID 82727267

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-difluorophenoxy)propyl]piperidin-4-one?
The IUPAC name of 1-[3-(3,4-difluorophenoxy)propyl]piperidin-4-one (CID 39367532) is 1-[3-(3,4-difluorophenoxy)propyl]piperidin-4-one.
What is the SMILES notation for 1-[3-(3,4-difluorophenoxy)propyl]piperidin-4-one?
The canonical SMILES for 1-[3-(3,4-difluorophenoxy)propyl]piperidin-4-one is O=C1CCN(CCCOc2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-[3-(3,4-difluorophenoxy)propyl]piperidin-4-one?
The InChIKey is UVOGDWPHWFZQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c15-13-3-2-12(10-14(13)16)19-9-1-6-17-7-4-11(18)5-8-17/h2-3,10H,1,4-9H2.
What are the key properties of 1-[3-(3,4-difluorophenoxy)propyl]piperidin-4-one?
1-[3-(3,4-difluorophenoxy)propyl]piperidin-4-one has a molecular weight of 269.29 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-difluorophenoxy)propyl]piperidin-4-one is sourced from PubChem (CID 39367532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).