1-[2-(4-fluorophenyl)piperidin-1-yl]-3-methoxypropan-1-one

C15H20FNO2 — CID 70707579

IUPAC1-[2-(4-fluorophenyl)piperidin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCCCC1c1ccc(F)cc1
InChIInChI=1S/C15H20FNO2/c1-19-11-9-15(18)17-10-3-2-4-14(17)12-5-7-13(16)8-6-12/h5-8,14H,2-4,9-11H2,1H3
InChIKeyAAKSQMQVNMLSLI-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.92
Rot. Bonds4

About 1-[2-(4-fluorophenyl)piperidin-1-yl]-3-methoxypropan-1-one

1-[2-(4-fluorophenyl)piperidin-1-yl]-3-methoxypropan-1-one (PubChem CID 70707579) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)piperidin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)piperidin-1-yl]-3-methoxypropan-1-one
PubChem CID70707579
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name1-[2-(4-fluorophenyl)piperidin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCCCC1c1ccc(F)cc1
InChIInChI=1S/C15H20FNO2/c1-19-11-9-15(18)17-10-3-2-4-14(17)12-5-7-13(16)8-6-12/h5-8,14H,2-4,9-11H2,1H3
InChIKeyAAKSQMQVNMLSLI-UHFFFAOYSA-N
XLogP2.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)piperidin-1-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[2-(4-fluorophenyl)piperidin-1-yl]-3-methoxypropan-1-one (CID 70707579) is 1-[2-(4-fluorophenyl)piperidin-1-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[2-(4-fluorophenyl)piperidin-1-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)piperidin-1-yl]-3-methoxypropan-1-one is COCCC(=O)N1CCCCC1c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)piperidin-1-yl]-3-methoxypropan-1-one?
The InChIKey is AAKSQMQVNMLSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-19-11-9-15(18)17-10-3-2-4-14(17)12-5-7-13(16)8-6-12/h5-8,14H,2-4,9-11H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)piperidin-1-yl]-3-methoxypropan-1-one?
1-[2-(4-fluorophenyl)piperidin-1-yl]-3-methoxypropan-1-one has a molecular weight of 265.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)piperidin-1-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 70707579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).