1-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]-2,2-dimethylpropan-1-one

C17H24FNO2 — CID 46153648

IUPAC1-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCC(OCc2ccc(F)cc2)C1
InChIInChI=1S/C17H24FNO2/c1-17(2,3)16(20)19-10-4-5-15(11-19)21-12-13-6-8-14(18)9-7-13/h6-9,15H,4-5,10-12H2,1-3H3
InChIKeyLEBHKGOMPLOJBZ-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.38
Rot. Bonds3

About 1-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 46153648) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 1-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID46153648
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name1-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCC(OCc2ccc(F)cc2)C1
InChIInChI=1S/C17H24FNO2/c1-17(2,3)16(20)19-10-4-5-15(11-19)21-12-13-6-8-14(18)9-7-13/h6-9,15H,4-5,10-12H2,1-3H3
InChIKeyLEBHKGOMPLOJBZ-UHFFFAOYSA-N
XLogP3.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 46153648) is 1-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCCC(OCc2ccc(F)cc2)C1.
What is the InChIKey of 1-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is LEBHKGOMPLOJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-17(2,3)16(20)19-10-4-5-15(11-19)21-12-13-6-8-14(18)9-7-13/h6-9,15H,4-5,10-12H2,1-3H3.
What are the key properties of 1-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 293.38 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 46153648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).