1-(4-fluorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone

C18H25FN2O — CID 1439668

IUPAC1-(4-fluorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESO=C(CN1CCC(N2CCCCC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C18H25FN2O/c19-16-6-4-15(5-7-16)18(22)14-20-12-8-17(9-13-20)21-10-2-1-3-11-21/h4-7,17H,1-3,8-14H2
InChIKeyRZNKWPVCVOFJPR-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.96
Rot. Bonds4

About 1-(4-fluorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone

1-(4-fluorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone (PubChem CID 1439668) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
PubChem CID1439668
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name1-(4-fluorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESO=C(CN1CCC(N2CCCCC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C18H25FN2O/c19-16-6-4-15(5-7-16)18(22)14-20-12-8-17(9-13-20)21-10-2-1-3-11-21/h4-7,17H,1-3,8-14H2
InChIKeyRZNKWPVCVOFJPR-UHFFFAOYSA-N
XLogP2.96
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone (CID 1439668) is 1-(4-fluorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone is O=C(CN1CCC(N2CCCCC2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The InChIKey is RZNKWPVCVOFJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O/c19-16-6-4-15(5-7-16)18(22)14-20-12-8-17(9-13-20)21-10-2-1-3-11-21/h4-7,17H,1-3,8-14H2.
What are the key properties of 1-(4-fluorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
1-(4-fluorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone has a molecular weight of 304.41 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 1439668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).