1-(4-acetylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;ethane

C14H26F3NO2 — CID 165116730

IUPAC1-(4-acetylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;ethane
SMILESCC.CC.CC(=O)C1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C10H14F3NO2.2C2H6/c1-7(15)8-2-4-14(5-3-8)9(16)6-10(11,12)13;2*1-2/h8H,2-6H2,1H3;2*1-2H3
InChIKeyPJYPEPFRKRFLDU-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.82
Rot. Bonds2

About 1-(4-acetylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;ethane

1-(4-acetylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;ethane (PubChem CID 165116730) has the molecular formula C14H26F3NO2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-(4-acetylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;ethane.

Molecular Properties

Compound Name1-(4-acetylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;ethane
PubChem CID165116730
Molecular FormulaC14H26F3NO2
Molecular Weight297.36 g/mol
Exact Mass297.19
IUPAC Name1-(4-acetylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;ethane
SMILESCC.CC.CC(=O)C1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C10H14F3NO2.2C2H6/c1-7(15)8-2-4-14(5-3-8)9(16)6-10(11,12)13;2*1-2/h8H,2-6H2,1H3;2*1-2H3
InChIKeyPJYPEPFRKRFLDU-UHFFFAOYSA-N
XLogP3.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Diacetylpiperidine
CID 2777250
1-(Trifluoroacetyl)piperidine-4-carbaldehyde
CID 45081042
tert-Butyl 4-(trifluoroacetyl)piperidine-1-carboxylate
CID 49759203
Isonipecotamide, 1-acetyl-N,N-diethyl-
CID 238087
1-Acetoacetyl-4-Methylpiperidine
CID 296335
1-[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]ethan-1-one hydrochloride
CID 112756476
Tert-butyl 4-(2-fluoroacetyl)piperidine-1-carboxylate
CID 155820158
Tert-butyl 4-(2,2-difluoroacetyl)piperidine-1-carboxylate
CID 165622065
1-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-2-methylpropan-1-one
CID 124291756
2,2,2-Trifluoro-1-(4-methylpiperidin-1-yl)ethanone
CID 3464522
2-Oxo-2-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetaldehyde
CID 17840008
3-Methyl-1-(trifluoroacetyl)piperidin-4-one
CID 22728862

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;ethane?
The IUPAC name of 1-(4-acetylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;ethane (CID 165116730) is 1-(4-acetylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;ethane.
What is the SMILES notation for 1-(4-acetylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;ethane?
The canonical SMILES for 1-(4-acetylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;ethane is CC.CC.CC(=O)C1CCN(C(=O)CC(F)(F)F)CC1.
What is the InChIKey of 1-(4-acetylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;ethane?
The InChIKey is PJYPEPFRKRFLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO2.2C2H6/c1-7(15)8-2-4-14(5-3-8)9(16)6-10(11,12)13;2*1-2/h8H,2-6H2,1H3;2*1-2H3.
What are the key properties of 1-(4-acetylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;ethane?
1-(4-acetylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;ethane has a molecular weight of 297.36 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;ethane is sourced from PubChem (CID 165116730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).