2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

C12H24F3N3 — CID 63619316

IUPAC2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCN1CCN(C(C)CNCC(F)(F)F)CC1C
InChIInChI=1S/C12H24F3N3/c1-4-17-5-6-18(8-11(17)3)10(2)7-16-9-12(13,14)15/h10-11,16H,4-9H2,1-3H3
InChIKeyJVFQWBJWMIRSMH-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.55
Rot. Bonds5

About 2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 63619316) has the molecular formula C12H24F3N3 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID63619316
Molecular FormulaC12H24F3N3
Molecular Weight267.34 g/mol
Exact Mass267.19
IUPAC Name2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCN1CCN(C(C)CNCC(F)(F)F)CC1C
InChIInChI=1S/C12H24F3N3/c1-4-17-5-6-18(8-11(17)3)10(2)7-16-9-12(13,14)15/h10-11,16H,4-9H2,1-3H3
InChIKeyJVFQWBJWMIRSMH-UHFFFAOYSA-N
XLogP1.55
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,5,6-Tetramethylpiperazine
CID 521970
1-(4-Methylpiperazin-1-yl)propan-2-amine
CID 16643482
2-(Trifluoromethyl)piperazine
CID 18519725
1-(Butan-2-yl)piperazine
CID 2735696
1-(2-Diisopropylaminoethyl)piperazine
CID 2736173
1-sec-Butyl-piperazine hydrochloride
CID 16189617
1-(2-(1-Amino-2-propyl)aminoethyl)-2-methylpiperazine
CID 3086047
1-(2-(2-Amino-1-propyl)aminoethyl)-2-methylpiperazine
CID 3086048
1-(2-(2-Amino-1-propyl)aminoethyl)-3-methylpiperazine
CID 3086050
1,2-Propanediamine, N2-[2-(2-methyl-1-piperazinyl)ethyl]-
CID 21156129
1,2-Propanediamine, N1-[2-(2-methyl-1-piperazinyl)ethyl]-
CID 21156130
1,2-Propanediamine, N1-[2-(3-methyl-1-piperazinyl)ethyl]-
CID 21156132

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 63619316) is 2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is CCN1CCN(C(C)CNCC(F)(F)F)CC1C.
What is the InChIKey of 2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is JVFQWBJWMIRSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N3/c1-4-17-5-6-18(8-11(17)3)10(2)7-16-9-12(13,14)15/h10-11,16H,4-9H2,1-3H3.
What are the key properties of 2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 267.34 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 63619316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).