1-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one

C20H29FN2O2 — CID 45245934

IUPAC1-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one
SMILESO=C(CCN1CCCCO1)N1CCCC(CCc2ccccc2F)C1
InChIInChI=1S/C20H29FN2O2/c21-19-8-2-1-7-18(19)10-9-17-6-5-12-22(16-17)20(24)11-14-23-13-3-4-15-25-23/h1-2,7-8,17H,3-6,9-16H2
InChIKeyGTXBFOLODPTOLW-UHFFFAOYSA-N
MW348.46 g/mol
LogP3.41
Rot. Bonds6

About 1-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one

1-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one (PubChem CID 45245934) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is 1-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one
PubChem CID45245934
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC Name1-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one
SMILESO=C(CCN1CCCCO1)N1CCCC(CCc2ccccc2F)C1
InChIInChI=1S/C20H29FN2O2/c21-19-8-2-1-7-18(19)10-9-17-6-5-12-22(16-17)20(24)11-14-23-13-3-4-15-25-23/h1-2,7-8,17H,3-6,9-16H2
InChIKeyGTXBFOLODPTOLW-UHFFFAOYSA-N
XLogP3.41
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one?
The IUPAC name of 1-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one (CID 45245934) is 1-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one.
What is the SMILES notation for 1-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one?
The canonical SMILES for 1-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one is O=C(CCN1CCCCO1)N1CCCC(CCc2ccccc2F)C1.
What is the InChIKey of 1-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one?
The InChIKey is GTXBFOLODPTOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O2/c21-19-8-2-1-7-18(19)10-9-17-6-5-12-22(16-17)20(24)11-14-23-13-3-4-15-25-23/h1-2,7-8,17H,3-6,9-16H2.
What are the key properties of 1-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one?
1-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one has a molecular weight of 348.46 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one is sourced from PubChem (CID 45245934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).