2,2,2-trifluoro-1-(1-methyl-2-pentylpiperidin-2-yl)ethanone

C13H22F3NO — CID 175542368

IUPAC2,2,2-trifluoro-1-(1-methyl-2-pentylpiperidin-2-yl)ethanone
SMILESCCCCCC1(C(=O)C(F)(F)F)CCCCN1C
InChIInChI=1S/C13H22F3NO/c1-3-4-5-8-12(11(18)13(14,15)16)9-6-7-10-17(12)2/h3-10H2,1-2H3
InChIKeyIYLGWVLGZHPEME-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.55
Rot. Bonds5

About 2,2,2-trifluoro-1-(1-methyl-2-pentylpiperidin-2-yl)ethanone

2,2,2-trifluoro-1-(1-methyl-2-pentylpiperidin-2-yl)ethanone (PubChem CID 175542368) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1-methyl-2-pentylpiperidin-2-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1-methyl-2-pentylpiperidin-2-yl)ethanone
PubChem CID175542368
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name2,2,2-trifluoro-1-(1-methyl-2-pentylpiperidin-2-yl)ethanone
SMILESCCCCCC1(C(=O)C(F)(F)F)CCCCN1C
InChIInChI=1S/C13H22F3NO/c1-3-4-5-8-12(11(18)13(14,15)16)9-6-7-10-17(12)2/h3-10H2,1-2H3
InChIKeyIYLGWVLGZHPEME-UHFFFAOYSA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1-methyl-2-pentylpiperidin-2-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(1-methyl-2-pentylpiperidin-2-yl)ethanone (CID 175542368) is 2,2,2-trifluoro-1-(1-methyl-2-pentylpiperidin-2-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(1-methyl-2-pentylpiperidin-2-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(1-methyl-2-pentylpiperidin-2-yl)ethanone is CCCCCC1(C(=O)C(F)(F)F)CCCCN1C.
What is the InChIKey of 2,2,2-trifluoro-1-(1-methyl-2-pentylpiperidin-2-yl)ethanone?
The InChIKey is IYLGWVLGZHPEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-3-4-5-8-12(11(18)13(14,15)16)9-6-7-10-17(12)2/h3-10H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-(1-methyl-2-pentylpiperidin-2-yl)ethanone?
2,2,2-trifluoro-1-(1-methyl-2-pentylpiperidin-2-yl)ethanone has a molecular weight of 265.32 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1-methyl-2-pentylpiperidin-2-yl)ethanone is sourced from PubChem (CID 175542368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).