1-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-3-(oxetan-2-yl)propan-1-one

C18H24FNO2 — CID 138034492

IUPAC1-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-3-(oxetan-2-yl)propan-1-one
SMILESO=C(CCC1CCO1)N1CCC(Cc2ccccc2F)CC1
InChIInChI=1S/C18H24FNO2/c19-17-4-2-1-3-15(17)13-14-7-10-20(11-8-14)18(21)6-5-16-9-12-22-16/h1-4,14,16H,5-13H2
InChIKeyFCNVTQNZBRGLPM-UHFFFAOYSA-N
MW305.39 g/mol
LogP3.18
Rot. Bonds5

About 1-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-3-(oxetan-2-yl)propan-1-one

1-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-3-(oxetan-2-yl)propan-1-one (PubChem CID 138034492) has the molecular formula C18H24FNO2 and a molecular weight of 305.39 g/mol. Its IUPAC name is 1-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-3-(oxetan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-3-(oxetan-2-yl)propan-1-one
PubChem CID138034492
Molecular FormulaC18H24FNO2
Molecular Weight305.39 g/mol
Exact Mass305.18
IUPAC Name1-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-3-(oxetan-2-yl)propan-1-one
SMILESO=C(CCC1CCO1)N1CCC(Cc2ccccc2F)CC1
InChIInChI=1S/C18H24FNO2/c19-17-4-2-1-3-15(17)13-14-7-10-20(11-8-14)18(21)6-5-16-9-12-22-16/h1-4,14,16H,5-13H2
InChIKeyFCNVTQNZBRGLPM-UHFFFAOYSA-N
XLogP3.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981575
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CID 164631101
1-(2-fluorophenyl)-4-(oxan-2-yl)butan-2-one
CID 63952955
3-cyclopentyl-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-1-one
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1-[(2R)-2-benzylmorpholin-4-yl]-3-(2-fluorophenyl)propan-1-one
CID 42462570
1-[4-(azepan-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110667113
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CID 75370712
1-(4-benzylpiperidin-1-yl)-2-[(2-fluorophenyl)methylamino]ethanone
CID 108997532
5-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 120695987
3-(2-fluorophenyl)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one
CID 110721311
1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110608652
3-(2-fluorophenyl)-1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110797569

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-3-(oxetan-2-yl)propan-1-one?
The IUPAC name of 1-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-3-(oxetan-2-yl)propan-1-one (CID 138034492) is 1-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-3-(oxetan-2-yl)propan-1-one.
What is the SMILES notation for 1-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-3-(oxetan-2-yl)propan-1-one?
The canonical SMILES for 1-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-3-(oxetan-2-yl)propan-1-one is O=C(CCC1CCO1)N1CCC(Cc2ccccc2F)CC1.
What is the InChIKey of 1-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-3-(oxetan-2-yl)propan-1-one?
The InChIKey is FCNVTQNZBRGLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO2/c19-17-4-2-1-3-15(17)13-14-7-10-20(11-8-14)18(21)6-5-16-9-12-22-16/h1-4,14,16H,5-13H2.
What are the key properties of 1-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-3-(oxetan-2-yl)propan-1-one?
1-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-3-(oxetan-2-yl)propan-1-one has a molecular weight of 305.39 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-3-(oxetan-2-yl)propan-1-one is sourced from PubChem (CID 138034492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).