4-[(5-fluoro-1-propan-2-ylpiperidin-3-yl)methoxy]butan-2-one

C13H24FNO2 — CID 170366272

IUPAC4-[(5-fluoro-1-propan-2-ylpiperidin-3-yl)methoxy]butan-2-one
SMILESCC(=O)CCOCC1CC(F)CN(C(C)C)C1
InChIInChI=1S/C13H24FNO2/c1-10(2)15-7-12(6-13(14)8-15)9-17-5-4-11(3)16/h10,12-13H,4-9H2,1-3H3
InChIKeyUGDZQMLMSOAYGP-UHFFFAOYSA-N
MW245.34 g/mol
LogP2.05
Rot. Bonds6

About 4-[(5-fluoro-1-propan-2-ylpiperidin-3-yl)methoxy]butan-2-one

4-[(5-fluoro-1-propan-2-ylpiperidin-3-yl)methoxy]butan-2-one (PubChem CID 170366272) has the molecular formula C13H24FNO2 and a molecular weight of 245.34 g/mol. Its IUPAC name is 4-[(5-fluoro-1-propan-2-ylpiperidin-3-yl)methoxy]butan-2-one.

Molecular Properties

Compound Name4-[(5-fluoro-1-propan-2-ylpiperidin-3-yl)methoxy]butan-2-one
PubChem CID170366272
Molecular FormulaC13H24FNO2
Molecular Weight245.34 g/mol
Exact Mass245.18
IUPAC Name4-[(5-fluoro-1-propan-2-ylpiperidin-3-yl)methoxy]butan-2-one
SMILESCC(=O)CCOCC1CC(F)CN(C(C)C)C1
InChIInChI=1S/C13H24FNO2/c1-10(2)15-7-12(6-13(14)8-15)9-17-5-4-11(3)16/h10,12-13H,4-9H2,1-3H3
InChIKeyUGDZQMLMSOAYGP-UHFFFAOYSA-N
XLogP2.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-1-propan-2-ylpiperidin-3-yl)methoxy]butan-2-one?
The IUPAC name of 4-[(5-fluoro-1-propan-2-ylpiperidin-3-yl)methoxy]butan-2-one (CID 170366272) is 4-[(5-fluoro-1-propan-2-ylpiperidin-3-yl)methoxy]butan-2-one.
What is the SMILES notation for 4-[(5-fluoro-1-propan-2-ylpiperidin-3-yl)methoxy]butan-2-one?
The canonical SMILES for 4-[(5-fluoro-1-propan-2-ylpiperidin-3-yl)methoxy]butan-2-one is CC(=O)CCOCC1CC(F)CN(C(C)C)C1.
What is the InChIKey of 4-[(5-fluoro-1-propan-2-ylpiperidin-3-yl)methoxy]butan-2-one?
The InChIKey is UGDZQMLMSOAYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO2/c1-10(2)15-7-12(6-13(14)8-15)9-17-5-4-11(3)16/h10,12-13H,4-9H2,1-3H3.
What are the key properties of 4-[(5-fluoro-1-propan-2-ylpiperidin-3-yl)methoxy]butan-2-one?
4-[(5-fluoro-1-propan-2-ylpiperidin-3-yl)methoxy]butan-2-one has a molecular weight of 245.34 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-1-propan-2-ylpiperidin-3-yl)methoxy]butan-2-one is sourced from PubChem (CID 170366272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).