1-(4-methylpiperazin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one

C10H17F3N2O2 — CID 60737014

IUPAC1-(4-methylpiperazin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
SMILESCN1CCN(C(=O)CCOCC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c1-14-3-5-15(6-4-14)9(16)2-7-17-8-10(11,12)13/h2-8H2,1H3
InChIKeyRPKPVBNISLELOM-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.73
Rot. Bonds4

About 1-(4-methylpiperazin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one

1-(4-methylpiperazin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one (PubChem CID 60737014) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
PubChem CID60737014
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name1-(4-methylpiperazin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
SMILESCN1CCN(C(=O)CCOCC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c1-14-3-5-15(6-4-14)9(16)2-7-17-8-10(11,12)13/h2-8H2,1H3
InChIKeyRPKPVBNISLELOM-UHFFFAOYSA-N
XLogP0.73
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.73
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

2,2,3,3-Tetrafluoro-1-(4-methylpiperazin-1-yl)-3-trifluoromethoxypropan-1-one
CID 550006
3-Ethoxy-1-(4-methylpiperazinyl)propan-1-one
CID 2972494
3-Methoxy-1-(2,4,6-trimethylpiperazin-1-yl)propan-1-one
CID 132283777
Ethyl 3-oxo-3-(2,3,5-trifluoro-4-methylpiperazin-1-yl)propanoate
CID 57201281
2,2,3,3-tetrafluoro-N-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 58855415
Tert-butyl 4-(2,2-difluoro-3-methoxypropanoyl)piperazine-1-carboxylate
CID 66696120
2,2-difluoro-N-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 89616655
2,2-Difluoro-3-methoxy-1-piperazin-1-ylpropan-1-one
CID 121299282
2,2-Difluoro-3-methoxy-1-morpholin-4-ylpropan-1-one
CID 139403937
4-(2,2-Difluoro-3-methoxypropanoyl)piperazine-1-carboxylic acid
CID 142714991
1,4-Bis[2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoyl]piperazine
CID 3109829
1-[4-(2-Hydroxyethyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 43417409

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one (CID 60737014) is 1-(4-methylpiperazin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one is CN1CCN(C(=O)CCOCC(F)(F)F)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The InChIKey is RPKPVBNISLELOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-14-3-5-15(6-4-14)9(16)2-7-17-8-10(11,12)13/h2-8H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
1-(4-methylpiperazin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one has a molecular weight of 254.25 g/mol, XLogP of 0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one is sourced from PubChem (CID 60737014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).