1-(3-fluoro-4-propan-2-ylpiperidin-1-yl)ethanone

C10H18FNO — CID 146488522

IUPAC1-(3-fluoro-4-propan-2-ylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CCC(C(C)C)C(F)C1
InChIInChI=1S/C10H18FNO/c1-7(2)9-4-5-12(8(3)13)6-10(9)11/h7,9-10H,4-6H2,1-3H3
InChIKeyQJPXYZRBVRKYMI-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.85
Rot. Bonds1

About 1-(3-fluoro-4-propan-2-ylpiperidin-1-yl)ethanone

1-(3-fluoro-4-propan-2-ylpiperidin-1-yl)ethanone (PubChem CID 146488522) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 1-(3-fluoro-4-propan-2-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-fluoro-4-propan-2-ylpiperidin-1-yl)ethanone
PubChem CID146488522
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name1-(3-fluoro-4-propan-2-ylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CCC(C(C)C)C(F)C1
InChIInChI=1S/C10H18FNO/c1-7(2)9-4-5-12(8(3)13)6-10(9)11/h7,9-10H,4-6H2,1-3H3
InChIKeyQJPXYZRBVRKYMI-UHFFFAOYSA-N
XLogP1.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-propan-2-ylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(3-fluoro-4-propan-2-ylpiperidin-1-yl)ethanone (CID 146488522) is 1-(3-fluoro-4-propan-2-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(3-fluoro-4-propan-2-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(3-fluoro-4-propan-2-ylpiperidin-1-yl)ethanone is CC(=O)N1CCC(C(C)C)C(F)C1.
What is the InChIKey of 1-(3-fluoro-4-propan-2-ylpiperidin-1-yl)ethanone?
The InChIKey is QJPXYZRBVRKYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-7(2)9-4-5-12(8(3)13)6-10(9)11/h7,9-10H,4-6H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-propan-2-ylpiperidin-1-yl)ethanone?
1-(3-fluoro-4-propan-2-ylpiperidin-1-yl)ethanone has a molecular weight of 187.26 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-propan-2-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 146488522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).