3,3,3-trifluoro-1-(4-methylpiperazin-1-yl)propan-1-imine

C8H14F3N3 — CID 63179241

IUPAC3,3,3-trifluoro-1-(4-methylpiperazin-1-yl)propan-1-imine
SMILES[H]/N=C(\CC(F)(F)F)N1CCN(C)CC1
InChIInChI=1S/C8H14F3N3/c1-13-2-4-14(5-3-13)7(12)6-8(9,10)11/h12H,2-6H2,1H3/b12-7+
InChIKeyYFGALFHYZBWIPK-KPKJPENVSA-N
MW209.21 g/mol
LogP1.16
Rot. Bonds1

About 3,3,3-trifluoro-1-(4-methylpiperazin-1-yl)propan-1-imine

3,3,3-trifluoro-1-(4-methylpiperazin-1-yl)propan-1-imine (PubChem CID 63179241) has the molecular formula C8H14F3N3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(4-methylpiperazin-1-yl)propan-1-imine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(4-methylpiperazin-1-yl)propan-1-imine
PubChem CID63179241
Molecular FormulaC8H14F3N3
Molecular Weight209.21 g/mol
Exact Mass209.11
IUPAC Name3,3,3-trifluoro-1-(4-methylpiperazin-1-yl)propan-1-imine
SMILES[H]/N=C(\CC(F)(F)F)N1CCN(C)CC1
InChIInChI=1S/C8H14F3N3/c1-13-2-4-14(5-3-13)7(12)6-8(9,10)11/h12H,2-6H2,1H3/b12-7+
InChIKeyYFGALFHYZBWIPK-KPKJPENVSA-N
XLogP1.16
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-imine
CID 70909989
4,4,4-Trifluoro-1-(4-methylpiperazin-1-yl)butan-1-imine
CID 79964690
4-Methyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine
CID 123507947
2,2,2-Trifluoro-1-(4-methylpiperazin-1-yl)ethanimine
CID 132011535
2,2,2-Trifluoro-1-(4-propan-2-ylpiperazin-1-yl)ethanimine
CID 132011537
4-Propan-2-yl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine
CID 138552371
N-ethyl-N-(2,2,2-trifluoroethanimidoyl)propanimidamide
CID 142387065
1-(2,2-Difluoropropanimidoyl)piperazin-2-imine
CID 142387115
N-(1,4-dimethylpiperazin-2-ylidene)-2,2,2-trifluoroethanimidamide
CID 144073505
6,6-Dimethyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine
CID 144563748
Ethane;4-methyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine
CID 145577274
4-Butyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine
CID 163969478

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(4-methylpiperazin-1-yl)propan-1-imine?
The IUPAC name of 3,3,3-trifluoro-1-(4-methylpiperazin-1-yl)propan-1-imine (CID 63179241) is 3,3,3-trifluoro-1-(4-methylpiperazin-1-yl)propan-1-imine.
What is the SMILES notation for 3,3,3-trifluoro-1-(4-methylpiperazin-1-yl)propan-1-imine?
The canonical SMILES for 3,3,3-trifluoro-1-(4-methylpiperazin-1-yl)propan-1-imine is [H]/N=C(\CC(F)(F)F)N1CCN(C)CC1.
What is the InChIKey of 3,3,3-trifluoro-1-(4-methylpiperazin-1-yl)propan-1-imine?
The InChIKey is YFGALFHYZBWIPK-KPKJPENVSA-N. The full InChI is InChI=1S/C8H14F3N3/c1-13-2-4-14(5-3-13)7(12)6-8(9,10)11/h12H,2-6H2,1H3/b12-7+.
What are the key properties of 3,3,3-trifluoro-1-(4-methylpiperazin-1-yl)propan-1-imine?
3,3,3-trifluoro-1-(4-methylpiperazin-1-yl)propan-1-imine has a molecular weight of 209.21 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(4-methylpiperazin-1-yl)propan-1-imine is sourced from PubChem (CID 63179241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).