2-[1-(3-fluoropropyl)piperidin-2-yl]cyclohexan-1-one

C14H24FNO — CID 81106474

IUPAC2-[1-(3-fluoropropyl)piperidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCCN1CCCF
InChIInChI=1S/C14H24FNO/c15-9-5-11-16-10-4-3-7-13(16)12-6-1-2-8-14(12)17/h12-13H,1-11H2
InChIKeyUPXCRAPYNKILJM-UHFFFAOYSA-N
MW241.35 g/mol
LogP2.96
Rot. Bonds4

About 2-[1-(3-fluoropropyl)piperidin-2-yl]cyclohexan-1-one

2-[1-(3-fluoropropyl)piperidin-2-yl]cyclohexan-1-one (PubChem CID 81106474) has the molecular formula C14H24FNO and a molecular weight of 241.35 g/mol. Its IUPAC name is 2-[1-(3-fluoropropyl)piperidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-(3-fluoropropyl)piperidin-2-yl]cyclohexan-1-one
PubChem CID81106474
Molecular FormulaC14H24FNO
Molecular Weight241.35 g/mol
Exact Mass241.18
IUPAC Name2-[1-(3-fluoropropyl)piperidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCCN1CCCF
InChIInChI=1S/C14H24FNO/c15-9-5-11-16-10-4-3-7-13(16)12-6-1-2-8-14(12)17/h12-13H,1-11H2
InChIKeyUPXCRAPYNKILJM-UHFFFAOYSA-N
XLogP2.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluoropropyl)piperidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-(3-fluoropropyl)piperidin-2-yl]cyclohexan-1-one (CID 81106474) is 2-[1-(3-fluoropropyl)piperidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-(3-fluoropropyl)piperidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-(3-fluoropropyl)piperidin-2-yl]cyclohexan-1-one is O=C1CCCCC1C1CCCCN1CCCF.
What is the InChIKey of 2-[1-(3-fluoropropyl)piperidin-2-yl]cyclohexan-1-one?
The InChIKey is UPXCRAPYNKILJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FNO/c15-9-5-11-16-10-4-3-7-13(16)12-6-1-2-8-14(12)17/h12-13H,1-11H2.
What are the key properties of 2-[1-(3-fluoropropyl)piperidin-2-yl]cyclohexan-1-one?
2-[1-(3-fluoropropyl)piperidin-2-yl]cyclohexan-1-one has a molecular weight of 241.35 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluoropropyl)piperidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 81106474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).