1-(4-aminopiperidin-1-yl)-2-fluoroethanone

C7H13FN2O — CID 45088628

IUPAC1-(4-aminopiperidin-1-yl)-2-fluoroethanone
SMILESNC1CCN(C(=O)CF)CC1
InChIInChI=1S/C7H13FN2O/c8-5-7(11)10-3-1-6(9)2-4-10/h6H,1-5,9H2
InChIKeyUAESUXUBOUNJDR-UHFFFAOYSA-N
MW160.19 g/mol
LogP-0.09
Rot. Bonds1

About 1-(4-aminopiperidin-1-yl)-2-fluoroethanone

1-(4-aminopiperidin-1-yl)-2-fluoroethanone (PubChem CID 45088628) has the molecular formula C7H13FN2O and a molecular weight of 160.19 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-fluoroethanone.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-fluoroethanone
PubChem CID45088628
Molecular FormulaC7H13FN2O
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC Name1-(4-aminopiperidin-1-yl)-2-fluoroethanone
SMILESNC1CCN(C(=O)CF)CC1
InChIInChI=1S/C7H13FN2O/c8-5-7(11)10-3-1-6(9)2-4-10/h6H,1-5,9H2
InChIKeyUAESUXUBOUNJDR-UHFFFAOYSA-N
XLogP-0.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-fluoroethanone?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-fluoroethanone (CID 45088628) is 1-(4-aminopiperidin-1-yl)-2-fluoroethanone.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-fluoroethanone?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-fluoroethanone is NC1CCN(C(=O)CF)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-fluoroethanone?
The InChIKey is UAESUXUBOUNJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2O/c8-5-7(11)10-3-1-6(9)2-4-10/h6H,1-5,9H2.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-fluoroethanone?
1-(4-aminopiperidin-1-yl)-2-fluoroethanone has a molecular weight of 160.19 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-fluoroethanone is sourced from PubChem (CID 45088628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).