1-(3-fluoropropyl)piperidin-4-one

C8H14FNO — CID 81105604

IUPAC1-(3-fluoropropyl)piperidin-4-one
SMILESO=C1CCN(CCCF)CC1
InChIInChI=1S/C8H14FNO/c9-4-1-5-10-6-2-8(11)3-7-10/h1-7H2
InChIKeyWKLUUILYTUNALO-UHFFFAOYSA-N
MW159.20 g/mol
LogP1.01
Rot. Bonds3

About 1-(3-fluoropropyl)piperidin-4-one

1-(3-fluoropropyl)piperidin-4-one (PubChem CID 81105604) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 1-(3-fluoropropyl)piperidin-4-one.

Molecular Properties

Compound Name1-(3-fluoropropyl)piperidin-4-one
PubChem CID81105604
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name1-(3-fluoropropyl)piperidin-4-one
SMILESO=C1CCN(CCCF)CC1
InChIInChI=1S/C8H14FNO/c9-4-1-5-10-6-2-8(11)3-7-10/h1-7H2
InChIKeyWKLUUILYTUNALO-UHFFFAOYSA-N
XLogP1.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)piperidin-4-one?
The IUPAC name of 1-(3-fluoropropyl)piperidin-4-one (CID 81105604) is 1-(3-fluoropropyl)piperidin-4-one.
What is the SMILES notation for 1-(3-fluoropropyl)piperidin-4-one?
The canonical SMILES for 1-(3-fluoropropyl)piperidin-4-one is O=C1CCN(CCCF)CC1.
What is the InChIKey of 1-(3-fluoropropyl)piperidin-4-one?
The InChIKey is WKLUUILYTUNALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c9-4-1-5-10-6-2-8(11)3-7-10/h1-7H2.
What are the key properties of 1-(3-fluoropropyl)piperidin-4-one?
1-(3-fluoropropyl)piperidin-4-one has a molecular weight of 159.20 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)piperidin-4-one is sourced from PubChem (CID 81105604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).