1-[4-[(3-fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one

C18H33FN2O2 — CID 165372729

IUPAC1-[4-[(3-fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)OC1CCN(CC2CCN(C(=O)C(C)C)CC2)CC1F
InChIInChI=1S/C18H33FN2O2/c1-13(2)18(22)21-9-5-15(6-10-21)11-20-8-7-17(16(19)12-20)23-14(3)4/h13-17H,5-12H2,1-4H3
InChIKeyMIYLEUAWLZIMPI-UHFFFAOYSA-N
MW328.47 g/mol
LogP2.72
Rot. Bonds5

About 1-[4-[(3-fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one

1-[4-[(3-fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 165372729) has the molecular formula C18H33FN2O2 and a molecular weight of 328.47 g/mol. Its IUPAC name is 1-[4-[(3-fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(3-fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID165372729
Molecular FormulaC18H33FN2O2
Molecular Weight328.47 g/mol
Exact Mass328.25
IUPAC Name1-[4-[(3-fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)OC1CCN(CC2CCN(C(=O)C(C)C)CC2)CC1F
InChIInChI=1S/C18H33FN2O2/c1-13(2)18(22)21-9-5-15(6-10-21)11-20-8-7-17(16(19)12-20)23-14(3)4/h13-17H,5-12H2,1-4H3
InChIKeyMIYLEUAWLZIMPI-UHFFFAOYSA-N
XLogP2.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.47
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[(3-fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one (CID 165372729) is 1-[4-[(3-fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[(3-fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[(3-fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one is CC(C)OC1CCN(CC2CCN(C(=O)C(C)C)CC2)CC1F.
What is the InChIKey of 1-[4-[(3-fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is MIYLEUAWLZIMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33FN2O2/c1-13(2)18(22)21-9-5-15(6-10-21)11-20-8-7-17(16(19)12-20)23-14(3)4/h13-17H,5-12H2,1-4H3.
What are the key properties of 1-[4-[(3-fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-[(3-fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 328.47 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 165372729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).