2-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]propan-1-amine

C12H24F3N3 — CID 62575111

IUPAC2-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]propan-1-amine
SMILESCC(C)CNCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H24F3N3/c1-11(2)9-16-3-4-17-5-7-18(8-6-17)10-12(13,14)15/h11,16H,3-10H2,1-2H3
InChIKeyZDUONJHQXQTLSN-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.41
Rot. Bonds6

About 2-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]propan-1-amine

2-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]propan-1-amine (PubChem CID 62575111) has the molecular formula C12H24F3N3 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]propan-1-amine
PubChem CID62575111
Molecular FormulaC12H24F3N3
Molecular Weight267.34 g/mol
Exact Mass267.19
IUPAC Name2-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]propan-1-amine
SMILESCC(C)CNCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H24F3N3/c1-11(2)9-16-3-4-17-5-7-18(8-6-17)10-12(13,14)15/h11,16H,3-10H2,1-2H3
InChIKeyZDUONJHQXQTLSN-UHFFFAOYSA-N
XLogP1.41
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-1-amine
CID 62463178
2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine
CID 62433428
N-[2-(azocan-1-yl)ethyl]-2-methylpropan-1-amine
CID 62419801
3-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]butan-1-amine
CID 62557137
2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592050
N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-2-methylpropan-1-amine
CID 62411059
2-methyl-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]propan-1-amine
CID 103503235
3-methyl-N-propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine
CID 62967246
2-methyl-N-[2-(4-propylpiperidin-1-yl)ethyl]propan-1-amine
CID 62437822
ethane;1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 168904282
N-[(3-methylthiophen-2-yl)methyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
CID 62575243
1-methyl-4-(2,2,2-trifluoroethyl)piperazine
CID 23236212

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]propan-1-amine (CID 62575111) is 2-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]propan-1-amine is CC(C)CNCCN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]propan-1-amine?
The InChIKey is ZDUONJHQXQTLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N3/c1-11(2)9-16-3-4-17-5-7-18(8-6-17)10-12(13,14)15/h11,16H,3-10H2,1-2H3.
What are the key properties of 2-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]propan-1-amine?
2-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]propan-1-amine has a molecular weight of 267.34 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]propan-1-amine is sourced from PubChem (CID 62575111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).