1-(4-pyridin-4-ylpiperidin-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone

C15H18F4N2O2 — CID 91776309

IUPAC1-(4-pyridin-4-ylpiperidin-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
SMILESO=C(COCC(F)(F)C(F)F)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C15H18F4N2O2/c16-14(17)15(18,19)10-23-9-13(22)21-7-3-12(4-8-21)11-1-5-20-6-2-11/h1-2,5-6,12,14H,3-4,7-10H2
InChIKeyHUABDQXTNALJPE-UHFFFAOYSA-N
MW334.31 g/mol
LogP2.70
Rot. Bonds6

About 1-(4-pyridin-4-ylpiperidin-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone

1-(4-pyridin-4-ylpiperidin-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone (PubChem CID 91776309) has the molecular formula C15H18F4N2O2 and a molecular weight of 334.31 g/mol. Its IUPAC name is 1-(4-pyridin-4-ylpiperidin-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone.

Molecular Properties

Compound Name1-(4-pyridin-4-ylpiperidin-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
PubChem CID91776309
Molecular FormulaC15H18F4N2O2
Molecular Weight334.31 g/mol
Exact Mass334.13
IUPAC Name1-(4-pyridin-4-ylpiperidin-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
SMILESO=C(COCC(F)(F)C(F)F)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C15H18F4N2O2/c16-14(17)15(18,19)10-23-9-13(22)21-7-3-12(4-8-21)11-1-5-20-6-2-11/h1-2,5-6,12,14H,3-4,7-10H2
InChIKeyHUABDQXTNALJPE-UHFFFAOYSA-N
XLogP2.70
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-pyridin-4-ylpiperidin-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The IUPAC name of 1-(4-pyridin-4-ylpiperidin-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone (CID 91776309) is 1-(4-pyridin-4-ylpiperidin-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone.
What is the SMILES notation for 1-(4-pyridin-4-ylpiperidin-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The canonical SMILES for 1-(4-pyridin-4-ylpiperidin-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone is O=C(COCC(F)(F)C(F)F)N1CCC(c2ccncc2)CC1.
What is the InChIKey of 1-(4-pyridin-4-ylpiperidin-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The InChIKey is HUABDQXTNALJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F4N2O2/c16-14(17)15(18,19)10-23-9-13(22)21-7-3-12(4-8-21)11-1-5-20-6-2-11/h1-2,5-6,12,14H,3-4,7-10H2.
What are the key properties of 1-(4-pyridin-4-ylpiperidin-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
1-(4-pyridin-4-ylpiperidin-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone has a molecular weight of 334.31 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyridin-4-ylpiperidin-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone is sourced from PubChem (CID 91776309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).