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

C10H18FNO — CID 59291628

IUPAC1-(4-fluoro-4-propan-2-ylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CCC(F)(C(C)C)CC1
InChIInChI=1S/C10H18FNO/c1-8(2)10(11)4-6-12(7-5-10)9(3)13/h8H,4-7H2,1-3H3
InChIKeyFJMVPEDXXGNWCC-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.99
Rot. Bonds1

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

1-(4-fluoro-4-propan-2-ylpiperidin-1-yl)ethanone (PubChem CID 59291628) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 1-(4-fluoro-4-propan-2-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-fluoro-4-propan-2-ylpiperidin-1-yl)ethanone
PubChem CID59291628
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name1-(4-fluoro-4-propan-2-ylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CCC(F)(C(C)C)CC1
InChIInChI=1S/C10H18FNO/c1-8(2)10(11)4-6-12(7-5-10)9(3)13/h8H,4-7H2,1-3H3
InChIKeyFJMVPEDXXGNWCC-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-4-propan-2-ylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(4-fluoro-4-propan-2-ylpiperidin-1-yl)ethanone (CID 59291628) is 1-(4-fluoro-4-propan-2-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-fluoro-4-propan-2-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(4-fluoro-4-propan-2-ylpiperidin-1-yl)ethanone is CC(=O)N1CCC(F)(C(C)C)CC1.
What is the InChIKey of 1-(4-fluoro-4-propan-2-ylpiperidin-1-yl)ethanone?
The InChIKey is FJMVPEDXXGNWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-8(2)10(11)4-6-12(7-5-10)9(3)13/h8H,4-7H2,1-3H3.
What are the key properties of 1-(4-fluoro-4-propan-2-ylpiperidin-1-yl)ethanone?
1-(4-fluoro-4-propan-2-ylpiperidin-1-yl)ethanone has a molecular weight of 187.26 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-4-propan-2-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 59291628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).