1-(4,4-dimethylpiperidin-1-yl)-2-fluoroethanone

C9H16FNO — CID 58959885

IUPAC1-(4,4-dimethylpiperidin-1-yl)-2-fluoroethanone
SMILESCC1(C)CCN(C(=O)CF)CC1
InChIInChI=1S/C9H16FNO/c1-9(2)3-5-11(6-4-9)8(12)7-10/h3-7H2,1-2H3
InChIKeyBONZEVJUHAPUQI-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.60
Rot. Bonds1

About 1-(4,4-dimethylpiperidin-1-yl)-2-fluoroethanone

1-(4,4-dimethylpiperidin-1-yl)-2-fluoroethanone (PubChem CID 58959885) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 1-(4,4-dimethylpiperidin-1-yl)-2-fluoroethanone.

Molecular Properties

Compound Name1-(4,4-dimethylpiperidin-1-yl)-2-fluoroethanone
PubChem CID58959885
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name1-(4,4-dimethylpiperidin-1-yl)-2-fluoroethanone
SMILESCC1(C)CCN(C(=O)CF)CC1
InChIInChI=1S/C9H16FNO/c1-9(2)3-5-11(6-4-9)8(12)7-10/h3-7H2,1-2H3
InChIKeyBONZEVJUHAPUQI-UHFFFAOYSA-N
XLogP1.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpiperidin-1-yl)-2-fluoroethanone?
The IUPAC name of 1-(4,4-dimethylpiperidin-1-yl)-2-fluoroethanone (CID 58959885) is 1-(4,4-dimethylpiperidin-1-yl)-2-fluoroethanone.
What is the SMILES notation for 1-(4,4-dimethylpiperidin-1-yl)-2-fluoroethanone?
The canonical SMILES for 1-(4,4-dimethylpiperidin-1-yl)-2-fluoroethanone is CC1(C)CCN(C(=O)CF)CC1.
What is the InChIKey of 1-(4,4-dimethylpiperidin-1-yl)-2-fluoroethanone?
The InChIKey is BONZEVJUHAPUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-9(2)3-5-11(6-4-9)8(12)7-10/h3-7H2,1-2H3.
What are the key properties of 1-(4,4-dimethylpiperidin-1-yl)-2-fluoroethanone?
1-(4,4-dimethylpiperidin-1-yl)-2-fluoroethanone has a molecular weight of 173.23 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpiperidin-1-yl)-2-fluoroethanone is sourced from PubChem (CID 58959885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).