[1-(2-fluoro-4-propan-2-ylphenyl)piperidin-4-yl]-morpholin-4-ylmethanone

C19H27FN2O2 — CID 166901178

IUPAC[1-(2-fluoro-4-propan-2-ylphenyl)piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCC(C)c1ccc(N2CCC(C(=O)N3CCOCC3)CC2)c(F)c1
InChIInChI=1S/C19H27FN2O2/c1-14(2)16-3-4-18(17(20)13-16)21-7-5-15(6-8-21)19(23)22-9-11-24-12-10-22/h3-4,13-15H,5-12H2,1-2H3
InChIKeyZQCFMOXJDXQUFK-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.02
Rot. Bonds3

About [1-(2-fluoro-4-propan-2-ylphenyl)piperidin-4-yl]-morpholin-4-ylmethanone

[1-(2-fluoro-4-propan-2-ylphenyl)piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 166901178) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is [1-(2-fluoro-4-propan-2-ylphenyl)piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(2-fluoro-4-propan-2-ylphenyl)piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID166901178
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name[1-(2-fluoro-4-propan-2-ylphenyl)piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCC(C)c1ccc(N2CCC(C(=O)N3CCOCC3)CC2)c(F)c1
InChIInChI=1S/C19H27FN2O2/c1-14(2)16-3-4-18(17(20)13-16)21-7-5-15(6-8-21)19(23)22-9-11-24-12-10-22/h3-4,13-15H,5-12H2,1-2H3
InChIKeyZQCFMOXJDXQUFK-UHFFFAOYSA-N
XLogP3.02
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoro-4-propan-2-ylphenyl)piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(2-fluoro-4-propan-2-ylphenyl)piperidin-4-yl]-morpholin-4-ylmethanone (CID 166901178) is [1-(2-fluoro-4-propan-2-ylphenyl)piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(2-fluoro-4-propan-2-ylphenyl)piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(2-fluoro-4-propan-2-ylphenyl)piperidin-4-yl]-morpholin-4-ylmethanone is CC(C)c1ccc(N2CCC(C(=O)N3CCOCC3)CC2)c(F)c1.
What is the InChIKey of [1-(2-fluoro-4-propan-2-ylphenyl)piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is ZQCFMOXJDXQUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-14(2)16-3-4-18(17(20)13-16)21-7-5-15(6-8-21)19(23)22-9-11-24-12-10-22/h3-4,13-15H,5-12H2,1-2H3.
What are the key properties of [1-(2-fluoro-4-propan-2-ylphenyl)piperidin-4-yl]-morpholin-4-ylmethanone?
[1-(2-fluoro-4-propan-2-ylphenyl)piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 334.44 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoro-4-propan-2-ylphenyl)piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 166901178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).