1-[4-[2-(aminomethyl)-3-fluoro-1-methoxypropyl]phenyl]piperidin-2-one

C16H23FN2O2 — CID 143418405

IUPAC1-[4-[2-(aminomethyl)-3-fluoro-1-methoxypropyl]phenyl]piperidin-2-one
SMILESCOC(c1ccc(N2CCCCC2=O)cc1)C(CN)CF
InChIInChI=1S/C16H23FN2O2/c1-21-16(13(10-17)11-18)12-5-7-14(8-6-12)19-9-3-2-4-15(19)20/h5-8,13,16H,2-4,9-11,18H2,1H3
InChIKeyFCUMJMVONYIKNU-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.44
Rot. Bonds6

About 1-[4-[2-(aminomethyl)-3-fluoro-1-methoxypropyl]phenyl]piperidin-2-one

1-[4-[2-(aminomethyl)-3-fluoro-1-methoxypropyl]phenyl]piperidin-2-one (PubChem CID 143418405) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-[4-[2-(aminomethyl)-3-fluoro-1-methoxypropyl]phenyl]piperidin-2-one.

Molecular Properties

Compound Name1-[4-[2-(aminomethyl)-3-fluoro-1-methoxypropyl]phenyl]piperidin-2-one
PubChem CID143418405
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-[4-[2-(aminomethyl)-3-fluoro-1-methoxypropyl]phenyl]piperidin-2-one
SMILESCOC(c1ccc(N2CCCCC2=O)cc1)C(CN)CF
InChIInChI=1S/C16H23FN2O2/c1-21-16(13(10-17)11-18)12-5-7-14(8-6-12)19-9-3-2-4-15(19)20/h5-8,13,16H,2-4,9-11,18H2,1H3
InChIKeyFCUMJMVONYIKNU-UHFFFAOYSA-N
XLogP2.44
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(aminomethyl)-3-fluoro-1-methoxypropyl]phenyl]piperidin-2-one?
The IUPAC name of 1-[4-[2-(aminomethyl)-3-fluoro-1-methoxypropyl]phenyl]piperidin-2-one (CID 143418405) is 1-[4-[2-(aminomethyl)-3-fluoro-1-methoxypropyl]phenyl]piperidin-2-one.
What is the SMILES notation for 1-[4-[2-(aminomethyl)-3-fluoro-1-methoxypropyl]phenyl]piperidin-2-one?
The canonical SMILES for 1-[4-[2-(aminomethyl)-3-fluoro-1-methoxypropyl]phenyl]piperidin-2-one is COC(c1ccc(N2CCCCC2=O)cc1)C(CN)CF.
What is the InChIKey of 1-[4-[2-(aminomethyl)-3-fluoro-1-methoxypropyl]phenyl]piperidin-2-one?
The InChIKey is FCUMJMVONYIKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-21-16(13(10-17)11-18)12-5-7-14(8-6-12)19-9-3-2-4-15(19)20/h5-8,13,16H,2-4,9-11,18H2,1H3.
What are the key properties of 1-[4-[2-(aminomethyl)-3-fluoro-1-methoxypropyl]phenyl]piperidin-2-one?
1-[4-[2-(aminomethyl)-3-fluoro-1-methoxypropyl]phenyl]piperidin-2-one has a molecular weight of 294.37 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(aminomethyl)-3-fluoro-1-methoxypropyl]phenyl]piperidin-2-one is sourced from PubChem (CID 143418405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).