4,4,4-trifluoro-1-(4-phenylpiperidin-4-yl)butan-1-one

C15H18F3NO — CID 116561914

IUPAC4,4,4-trifluoro-1-(4-phenylpiperidin-4-yl)butan-1-one
SMILESO=C(CCC(F)(F)F)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C15H18F3NO/c16-15(17,18)7-6-13(20)14(8-10-19-11-9-14)12-4-2-1-3-5-12/h1-5,19H,6-11H2
InChIKeyHDQCQPAZLVTHTB-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.22
Rot. Bonds4

About 4,4,4-trifluoro-1-(4-phenylpiperidin-4-yl)butan-1-one

4,4,4-trifluoro-1-(4-phenylpiperidin-4-yl)butan-1-one (PubChem CID 116561914) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(4-phenylpiperidin-4-yl)butan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(4-phenylpiperidin-4-yl)butan-1-one
PubChem CID116561914
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name4,4,4-trifluoro-1-(4-phenylpiperidin-4-yl)butan-1-one
SMILESO=C(CCC(F)(F)F)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C15H18F3NO/c16-15(17,18)7-6-13(20)14(8-10-19-11-9-14)12-4-2-1-3-5-12/h1-5,19H,6-11H2
InChIKeyHDQCQPAZLVTHTB-UHFFFAOYSA-N
XLogP3.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(4-phenylpiperidin-4-yl)butan-1-one?
The IUPAC name of 4,4,4-trifluoro-1-(4-phenylpiperidin-4-yl)butan-1-one (CID 116561914) is 4,4,4-trifluoro-1-(4-phenylpiperidin-4-yl)butan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-1-(4-phenylpiperidin-4-yl)butan-1-one?
The canonical SMILES for 4,4,4-trifluoro-1-(4-phenylpiperidin-4-yl)butan-1-one is O=C(CCC(F)(F)F)C1(c2ccccc2)CCNCC1.
What is the InChIKey of 4,4,4-trifluoro-1-(4-phenylpiperidin-4-yl)butan-1-one?
The InChIKey is HDQCQPAZLVTHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c16-15(17,18)7-6-13(20)14(8-10-19-11-9-14)12-4-2-1-3-5-12/h1-5,19H,6-11H2.
What are the key properties of 4,4,4-trifluoro-1-(4-phenylpiperidin-4-yl)butan-1-one?
4,4,4-trifluoro-1-(4-phenylpiperidin-4-yl)butan-1-one has a molecular weight of 285.31 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(4-phenylpiperidin-4-yl)butan-1-one is sourced from PubChem (CID 116561914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).