1-piperidin-1-yl-2-(3,3,3-trifluoropropylamino)ethanone

C10H17F3N2O — CID 63226480

IUPAC1-piperidin-1-yl-2-(3,3,3-trifluoropropylamino)ethanone
SMILESO=C(CNCCC(F)(F)F)N1CCCCC1
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)4-5-14-8-9(16)15-6-2-1-3-7-15/h14H,1-8H2
InChIKeyLTUWKCNESFONKX-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.54
Rot. Bonds4

About 1-piperidin-1-yl-2-(3,3,3-trifluoropropylamino)ethanone

1-piperidin-1-yl-2-(3,3,3-trifluoropropylamino)ethanone (PubChem CID 63226480) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(3,3,3-trifluoropropylamino)ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(3,3,3-trifluoropropylamino)ethanone
PubChem CID63226480
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name1-piperidin-1-yl-2-(3,3,3-trifluoropropylamino)ethanone
SMILESO=C(CNCCC(F)(F)F)N1CCCCC1
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)4-5-14-8-9(16)15-6-2-1-3-7-15/h14H,1-8H2
InChIKeyLTUWKCNESFONKX-UHFFFAOYSA-N
XLogP1.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.54
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

1-piperidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 28596000
1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 28595912
2-(2-aminoethylamino)-1-(azepan-1-yl)ethanone
CID 62140336
2-(2-aminoethylamino)-1-piperidin-1-ylethanone
CID 62140335
2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-piperidin-1-ylethanone
CID 106176895
1-(azepan-1-yl)-2-(3-hydroxypentylamino)ethanone
CID 113497568
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 113235197
1-(azepan-1-yl)-2-(2,2,2-trifluoroethoxyamino)ethanone
CID 82721281
2-(5-methylsulfanylpentylamino)-1-piperidin-1-ylethanone
CID 114127342
2-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-piperidin-1-ylethanone
CID 106310504
1-[4-[2-(2,2,2-trifluoroethylamino)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 78958458
1-(azepan-1-yl)-2-(5-methylhexylamino)ethanone
CID 113287464

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(3,3,3-trifluoropropylamino)ethanone?
The IUPAC name of 1-piperidin-1-yl-2-(3,3,3-trifluoropropylamino)ethanone (CID 63226480) is 1-piperidin-1-yl-2-(3,3,3-trifluoropropylamino)ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-(3,3,3-trifluoropropylamino)ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-(3,3,3-trifluoropropylamino)ethanone is O=C(CNCCC(F)(F)F)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-(3,3,3-trifluoropropylamino)ethanone?
The InChIKey is LTUWKCNESFONKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c11-10(12,13)4-5-14-8-9(16)15-6-2-1-3-7-15/h14H,1-8H2.
What are the key properties of 1-piperidin-1-yl-2-(3,3,3-trifluoropropylamino)ethanone?
1-piperidin-1-yl-2-(3,3,3-trifluoropropylamino)ethanone has a molecular weight of 238.25 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(3,3,3-trifluoropropylamino)ethanone is sourced from PubChem (CID 63226480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).