1-(4-amino-4-methylpiperidin-1-yl)-2-fluoroethanone

C8H15FN2O — CID 45080762

IUPAC1-(4-amino-4-methylpiperidin-1-yl)-2-fluoroethanone
SMILESCC1(N)CCN(C(=O)CF)CC1
InChIInChI=1S/C8H15FN2O/c1-8(10)2-4-11(5-3-8)7(12)6-9/h2-6,10H2,1H3
InChIKeyFRQNUDHXQWBZQD-UHFFFAOYSA-N
MW174.22 g/mol
LogP0.30
Rot. Bonds1

About 1-(4-amino-4-methylpiperidin-1-yl)-2-fluoroethanone

1-(4-amino-4-methylpiperidin-1-yl)-2-fluoroethanone (PubChem CID 45080762) has the molecular formula C8H15FN2O and a molecular weight of 174.22 g/mol. Its IUPAC name is 1-(4-amino-4-methylpiperidin-1-yl)-2-fluoroethanone.

Molecular Properties

Compound Name1-(4-amino-4-methylpiperidin-1-yl)-2-fluoroethanone
PubChem CID45080762
Molecular FormulaC8H15FN2O
Molecular Weight174.22 g/mol
Exact Mass174.12
IUPAC Name1-(4-amino-4-methylpiperidin-1-yl)-2-fluoroethanone
SMILESCC1(N)CCN(C(=O)CF)CC1
InChIInChI=1S/C8H15FN2O/c1-8(10)2-4-11(5-3-8)7(12)6-9/h2-6,10H2,1H3
InChIKeyFRQNUDHXQWBZQD-UHFFFAOYSA-N
XLogP0.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-4-methylpiperidin-1-yl)-2-fluoroethanone?
The IUPAC name of 1-(4-amino-4-methylpiperidin-1-yl)-2-fluoroethanone (CID 45080762) is 1-(4-amino-4-methylpiperidin-1-yl)-2-fluoroethanone.
What is the SMILES notation for 1-(4-amino-4-methylpiperidin-1-yl)-2-fluoroethanone?
The canonical SMILES for 1-(4-amino-4-methylpiperidin-1-yl)-2-fluoroethanone is CC1(N)CCN(C(=O)CF)CC1.
What is the InChIKey of 1-(4-amino-4-methylpiperidin-1-yl)-2-fluoroethanone?
The InChIKey is FRQNUDHXQWBZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2O/c1-8(10)2-4-11(5-3-8)7(12)6-9/h2-6,10H2,1H3.
What are the key properties of 1-(4-amino-4-methylpiperidin-1-yl)-2-fluoroethanone?
1-(4-amino-4-methylpiperidin-1-yl)-2-fluoroethanone has a molecular weight of 174.22 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-4-methylpiperidin-1-yl)-2-fluoroethanone is sourced from PubChem (CID 45080762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).