2-(3-fluorophenyl)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone

C19H27FN2O2 — CID 53193432

IUPAC2-(3-fluorophenyl)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCCCC1CCN1CCOCC1
InChIInChI=1S/C19H27FN2O2/c20-17-5-3-4-16(14-17)15-19(23)22-8-2-1-6-18(22)7-9-21-10-12-24-13-11-21/h3-5,14,18H,1-2,6-13,15H2
InChIKeyDRKFCCDFNNRVTN-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.47
Rot. Bonds5

About 2-(3-fluorophenyl)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone

2-(3-fluorophenyl)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone (PubChem CID 53193432) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone
PubChem CID53193432
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name2-(3-fluorophenyl)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCCCC1CCN1CCOCC1
InChIInChI=1S/C19H27FN2O2/c20-17-5-3-4-16(14-17)15-19(23)22-8-2-1-6-18(22)7-9-21-10-12-24-13-11-21/h3-5,14,18H,1-2,6-13,15H2
InChIKeyDRKFCCDFNNRVTN-UHFFFAOYSA-N
XLogP2.47
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone (CID 53193432) is 2-(3-fluorophenyl)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone is O=C(Cc1cccc(F)c1)N1CCCCC1CCN1CCOCC1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone?
The InChIKey is DRKFCCDFNNRVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c20-17-5-3-4-16(14-17)15-19(23)22-8-2-1-6-18(22)7-9-21-10-12-24-13-11-21/h3-5,14,18H,1-2,6-13,15H2.
What are the key properties of 2-(3-fluorophenyl)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone?
2-(3-fluorophenyl)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone has a molecular weight of 334.44 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 53193432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).