1-[1-(2,2,2-trifluoroethylamino)hexan-3-yl]piperidin-2-one

C13H23F3N2O — CID 122432357

IUPAC1-[1-(2,2,2-trifluoroethylamino)hexan-3-yl]piperidin-2-one
SMILESCCCC(CCNCC(F)(F)F)N1CCCCC1=O
InChIInChI=1S/C13H23F3N2O/c1-2-5-11(7-8-17-10-13(14,15)16)18-9-4-3-6-12(18)19/h11,17H,2-10H2,1H3
InChIKeySOYFRVPPJJIJBT-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.71
Rot. Bonds7

About 1-[1-(2,2,2-trifluoroethylamino)hexan-3-yl]piperidin-2-one

1-[1-(2,2,2-trifluoroethylamino)hexan-3-yl]piperidin-2-one (PubChem CID 122432357) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[1-(2,2,2-trifluoroethylamino)hexan-3-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[1-(2,2,2-trifluoroethylamino)hexan-3-yl]piperidin-2-one
PubChem CID122432357
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name1-[1-(2,2,2-trifluoroethylamino)hexan-3-yl]piperidin-2-one
SMILESCCCC(CCNCC(F)(F)F)N1CCCCC1=O
InChIInChI=1S/C13H23F3N2O/c1-2-5-11(7-8-17-10-13(14,15)16)18-9-4-3-6-12(18)19/h11,17H,2-10H2,1H3
InChIKeySOYFRVPPJJIJBT-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(piperidin-4-yl)pentanamide hydrochloride
CID 21386724
6-(Trifluoromethyl)piperidin-2-one
CID 57367082
1-Methyl-3-(methylamino)-6-(trifluoromethyl)piperidin-2-one
CID 45100045
4-[Cyclohexyl(methyl)amino]piperidin-2-one
CID 156011982
N-(1-ethylpiperidin-4-yl)butanamide
CID 17250288
N-[1-(propan-2-yl)piperidin-4-yl]butanamide
CID 25236642
Acetamide, 2,2,2-trifluoro-N-(1-methylpiperidin-4-yl)-
CID 6421687
N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide
CID 62732802
N-[1-(2-fluoroethyl)piperidin-4-yl]acetamide
CID 130652776
2-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide
CID 153399082
4-Amino-1-(propan-2-yl)piperidin-2-one hydrochloride
CID 165665574
N-(1-ethyl-3-fluoropiperidin-4-yl)acetamide
CID 135063588

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2,2-trifluoroethylamino)hexan-3-yl]piperidin-2-one?
The IUPAC name of 1-[1-(2,2,2-trifluoroethylamino)hexan-3-yl]piperidin-2-one (CID 122432357) is 1-[1-(2,2,2-trifluoroethylamino)hexan-3-yl]piperidin-2-one.
What is the SMILES notation for 1-[1-(2,2,2-trifluoroethylamino)hexan-3-yl]piperidin-2-one?
The canonical SMILES for 1-[1-(2,2,2-trifluoroethylamino)hexan-3-yl]piperidin-2-one is CCCC(CCNCC(F)(F)F)N1CCCCC1=O.
What is the InChIKey of 1-[1-(2,2,2-trifluoroethylamino)hexan-3-yl]piperidin-2-one?
The InChIKey is SOYFRVPPJJIJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-2-5-11(7-8-17-10-13(14,15)16)18-9-4-3-6-12(18)19/h11,17H,2-10H2,1H3.
What are the key properties of 1-[1-(2,2,2-trifluoroethylamino)hexan-3-yl]piperidin-2-one?
1-[1-(2,2,2-trifluoroethylamino)hexan-3-yl]piperidin-2-one has a molecular weight of 280.33 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2,2-trifluoroethylamino)hexan-3-yl]piperidin-2-one is sourced from PubChem (CID 122432357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).