1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]propan-2-one

C13H22F3NO2 — CID 79537541

IUPAC1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1CCCOCC(F)(F)F
InChIInChI=1S/C13H22F3NO2/c1-11(18)9-12-5-2-3-6-17(12)7-4-8-19-10-13(14,15)16/h12H,2-10H2,1H3
InChIKeyTZZGVFBGPFXUQS-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.79
Rot. Bonds7

About 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]propan-2-one

1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]propan-2-one (PubChem CID 79537541) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]propan-2-one
PubChem CID79537541
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC Name1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1CCCOCC(F)(F)F
InChIInChI=1S/C13H22F3NO2/c1-11(18)9-12-5-2-3-6-17(12)7-4-8-19-10-13(14,15)16/h12H,2-10H2,1H3
InChIKeyTZZGVFBGPFXUQS-UHFFFAOYSA-N
XLogP2.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-[3-(2-methoxyethoxy)propyl]piperidin-2-yl]propan-2-one
CID 103409848
N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine
CID 62581283
1-[1-[2-(2-methoxyethoxy)ethyl]azepan-2-yl]propan-2-one
CID 79560356
1-(1-octylpiperidin-2-yl)propan-2-one
CID 79537819
1-[1-(2-fluoroethyl)piperidin-2-yl]propan-2-one
CID 80695193
1-[1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-2-yl]propan-2-one
CID 103179808
methyl 4-[2-(2-oxopropyl)piperidin-1-yl]butanoate
CID 79538399
1-[1-[3-(dimethylamino)propyl]azepan-2-yl]propan-2-one
CID 114525397
[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine
CID 61490445
ethyl 6-[2-(2-oxopropyl)azepan-1-yl]hexanoate
CID 79540569
1-[1-(2-morpholin-4-ylethyl)piperidin-2-yl]propan-2-one
CID 79539535
1-[1-(2-hydroxy-2-methylpropyl)azepan-2-yl]propan-2-one
CID 79560522

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]propan-2-one (CID 79537541) is 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]propan-2-one is CC(=O)CC1CCCCN1CCCOCC(F)(F)F.
What is the InChIKey of 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]propan-2-one?
The InChIKey is TZZGVFBGPFXUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c1-11(18)9-12-5-2-3-6-17(12)7-4-8-19-10-13(14,15)16/h12H,2-10H2,1H3.
What are the key properties of 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]propan-2-one?
1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]propan-2-one has a molecular weight of 281.32 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]propan-2-one is sourced from PubChem (CID 79537541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).