1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one

C9H14F3NO — CID 60655671

IUPAC1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C9H14F3NO/c1-2-8(14)13-5-3-4-7(6-13)9(10,11)12/h7H,2-6H2,1H3
InChIKeyGWQRGYNYMDUYLJ-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.20
Rot. Bonds1

About 1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one

1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one (PubChem CID 60655671) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
PubChem CID60655671
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C9H14F3NO/c1-2-8(14)13-5-3-4-7(6-13)9(10,11)12/h7H,2-6H2,1H3
InChIKeyGWQRGYNYMDUYLJ-UHFFFAOYSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-tert-butylpiperidin-1-yl)propan-1-one
CID 59751403
(3S)-3-(trifluoromethyl)piperidine-1-carbonyl chloride
CID 165491183
2,2,2-trifluoro-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 62733731
2-amino-1-[3-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 60918464
2-(1-aminocyclopentyl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 64684265
5-bromo-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one
CID 107909095
(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 116656471
1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 94475711
cyclopropyl-[(3R)-3-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97005184
1-[(3S)-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-1-yl]propan-1-one
CID 129430039
3-chloro-2-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 62727952
1-[(3S)-1-propanoylpyrrolidin-3-yl]-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 97095074

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one (CID 60655671) is 1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The InChIKey is GWQRGYNYMDUYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-2-8(14)13-5-3-4-7(6-13)9(10,11)12/h7H,2-6H2,1H3.
What are the key properties of 1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one?
1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one has a molecular weight of 209.21 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 60655671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).