1-(4-methylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropylamino)ethanone

C10H17F4N3O — CID 106291879

IUPAC1-(4-methylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropylamino)ethanone
SMILESCN1CCN(C(=O)CNCC(F)(F)C(F)F)CC1
InChIInChI=1S/C10H17F4N3O/c1-16-2-4-17(5-3-16)8(18)6-15-7-10(13,14)9(11)12/h9,15H,2-7H2,1H3
InChIKeySLHRBWWVNYEMLI-UHFFFAOYSA-N
MW271.26 g/mol
LogP0.25
Rot. Bonds5

About 1-(4-methylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropylamino)ethanone

1-(4-methylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropylamino)ethanone (PubChem CID 106291879) has the molecular formula C10H17F4N3O and a molecular weight of 271.26 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropylamino)ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropylamino)ethanone
PubChem CID106291879
Molecular FormulaC10H17F4N3O
Molecular Weight271.26 g/mol
Exact Mass271.13
IUPAC Name1-(4-methylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropylamino)ethanone
SMILESCN1CCN(C(=O)CNCC(F)(F)C(F)F)CC1
InChIInChI=1S/C10H17F4N3O/c1-16-2-4-17(5-3-16)8(18)6-15-7-10(13,14)9(11)12/h9,15H,2-7H2,1H3
InChIKeySLHRBWWVNYEMLI-UHFFFAOYSA-N
XLogP0.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminopropylamino)-1-(4-methylpiperazin-1-yl)ethanone
CID 62273146
1-(4-methylpiperazin-1-yl)-2-(2-methylsulfonylethylamino)ethanone
CID 54934696
1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 28595912
2-[(3-hydroxycyclopentyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 106129832
1-[4-[2-(2,2,2-trifluoroethylamino)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 78958458
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 79261520
[2-(4-methylpiperazin-1-yl)-2-oxoethyl]urea
CID 127518835
1-piperidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 28596000
N-(2,2,3,3-tetrafluoropropyl)azepane-1-carboxamide
CID 106291080
2-[2-(diethylamino)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 28580194
ethyl 4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-1-carboxylate
CID 78914960
2-[(4-ethylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60973098

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropylamino)ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropylamino)ethanone (CID 106291879) is 1-(4-methylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropylamino)ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropylamino)ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropylamino)ethanone is CN1CCN(C(=O)CNCC(F)(F)C(F)F)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropylamino)ethanone?
The InChIKey is SLHRBWWVNYEMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F4N3O/c1-16-2-4-17(5-3-16)8(18)6-15-7-10(13,14)9(11)12/h9,15H,2-7H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropylamino)ethanone?
1-(4-methylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropylamino)ethanone has a molecular weight of 271.26 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropylamino)ethanone is sourced from PubChem (CID 106291879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).