5,5,5-trifluoro-1-(1-piperidin-4-ylpyrrol-2-yl)pentan-1-one

C14H19F3N2O — CID 116564797

IUPAC5,5,5-trifluoro-1-(1-piperidin-4-ylpyrrol-2-yl)pentan-1-one
SMILESO=C(CCCC(F)(F)F)c1cccn1C1CCNCC1
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)7-1-4-13(20)12-3-2-10-19(12)11-5-8-18-9-6-11/h2-3,10-11,18H,1,4-9H2
InChIKeyMRFHUECTJLDTJH-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.33
Rot. Bonds5

About 5,5,5-trifluoro-1-(1-piperidin-4-ylpyrrol-2-yl)pentan-1-one

5,5,5-trifluoro-1-(1-piperidin-4-ylpyrrol-2-yl)pentan-1-one (PubChem CID 116564797) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(1-piperidin-4-ylpyrrol-2-yl)pentan-1-one.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(1-piperidin-4-ylpyrrol-2-yl)pentan-1-one
PubChem CID116564797
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name5,5,5-trifluoro-1-(1-piperidin-4-ylpyrrol-2-yl)pentan-1-one
SMILESO=C(CCCC(F)(F)F)c1cccn1C1CCNCC1
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)7-1-4-13(20)12-3-2-10-19(12)11-5-8-18-9-6-11/h2-3,10-11,18H,1,4-9H2
InChIKeyMRFHUECTJLDTJH-UHFFFAOYSA-N
XLogP3.33
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 62715231
3-methyl-1-(1-piperidin-4-ylpyrrol-2-yl)but-3-en-1-one
CID 116564816
cyclopropyl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 116564829
1-(1-piperidin-4-ylpyrrol-2-yl)-2-propan-2-yloxyethanone
CID 116564730
1-(1-piperidin-4-ylpyrrol-2-yl)-2-thiophen-3-ylethanone
CID 116564805
1-(1-piperidin-4-ylpyrrol-2-yl)-2-pyridin-2-ylethanone
CID 116564830
1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 64565711
2-(5-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrol-2-yl)ethanone
CID 116564693
1-(1-piperidin-4-ylpyrrol-2-yl)-2-pyridin-3-ylethanone
CID 116564776
azepan-1-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 62716935
(3,5-difluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 116564823
(2-fluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 116564738

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(1-piperidin-4-ylpyrrol-2-yl)pentan-1-one?
The IUPAC name of 5,5,5-trifluoro-1-(1-piperidin-4-ylpyrrol-2-yl)pentan-1-one (CID 116564797) is 5,5,5-trifluoro-1-(1-piperidin-4-ylpyrrol-2-yl)pentan-1-one.
What is the SMILES notation for 5,5,5-trifluoro-1-(1-piperidin-4-ylpyrrol-2-yl)pentan-1-one?
The canonical SMILES for 5,5,5-trifluoro-1-(1-piperidin-4-ylpyrrol-2-yl)pentan-1-one is O=C(CCCC(F)(F)F)c1cccn1C1CCNCC1.
What is the InChIKey of 5,5,5-trifluoro-1-(1-piperidin-4-ylpyrrol-2-yl)pentan-1-one?
The InChIKey is MRFHUECTJLDTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c15-14(16,17)7-1-4-13(20)12-3-2-10-19(12)11-5-8-18-9-6-11/h2-3,10-11,18H,1,4-9H2.
What are the key properties of 5,5,5-trifluoro-1-(1-piperidin-4-ylpyrrol-2-yl)pentan-1-one?
5,5,5-trifluoro-1-(1-piperidin-4-ylpyrrol-2-yl)pentan-1-one has a molecular weight of 288.31 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(1-piperidin-4-ylpyrrol-2-yl)pentan-1-one is sourced from PubChem (CID 116564797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).