3,3,3-trifluoro-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one

C9H14F3NO2 — CID 43422447

IUPAC3,3,3-trifluoro-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CC(F)(F)F)N1CCCC(CO)C1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)4-8(15)13-3-1-2-7(5-13)6-14/h7,14H,1-6H2
InChIKeyVYUSSMXXZJGMFI-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.17
Rot. Bonds2

About 3,3,3-trifluoro-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one

3,3,3-trifluoro-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one (PubChem CID 43422447) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
PubChem CID43422447
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name3,3,3-trifluoro-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CC(F)(F)F)N1CCCC(CO)C1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)4-8(15)13-3-1-2-7(5-13)6-14/h7,14H,1-6H2
InChIKeyVYUSSMXXZJGMFI-UHFFFAOYSA-N
XLogP1.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 61206563
3-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 64683995
2,2,3,3,3-pentafluoro-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 114037853
bis[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 151645360
4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 93204224
3,3,3-trifluoro-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119490768
1-[3-(hydroxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 62212438
1-[3-(2-chloroethyl)pyrrolidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 114801279
2-(azetidin-3-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 64616768
5-[3-(hydroxymethyl)piperidin-1-yl]-5-oxopentanoic acid
CID 43590262
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]acetamide
CID 43422465
2-methyl-2-[1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]propanoic acid
CID 83197951

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one (CID 43422447) is 3,3,3-trifluoro-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one is O=C(CC(F)(F)F)N1CCCC(CO)C1.
What is the InChIKey of 3,3,3-trifluoro-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The InChIKey is VYUSSMXXZJGMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-9(11,12)4-8(15)13-3-1-2-7(5-13)6-14/h7,14H,1-6H2.
What are the key properties of 3,3,3-trifluoro-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one?
3,3,3-trifluoro-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one has a molecular weight of 225.21 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 43422447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).