2-methyl-3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]propan-1-amine

C12H24F3N3 — CID 113326267

IUPAC2-methyl-3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]propan-1-amine
SMILESCC(CN)CN1CCN(CCCC(F)(F)F)CC1
InChIInChI=1S/C12H24F3N3/c1-11(9-16)10-18-7-5-17(6-8-18)4-2-3-12(13,14)15/h11H,2-10,16H2,1H3
InChIKeyVWXWWHFWCCGILK-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.54
Rot. Bonds6

About 2-methyl-3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]propan-1-amine

2-methyl-3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]propan-1-amine (PubChem CID 113326267) has the molecular formula C12H24F3N3 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-methyl-3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]propan-1-amine
PubChem CID113326267
Molecular FormulaC12H24F3N3
Molecular Weight267.34 g/mol
Exact Mass267.19
IUPAC Name2-methyl-3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]propan-1-amine
SMILESCC(CN)CN1CCN(CCCC(F)(F)F)CC1
InChIInChI=1S/C12H24F3N3/c1-11(9-16)10-18-7-5-17(6-8-18)4-2-3-12(13,14)15/h11H,2-10,16H2,1H3
InChIKeyVWXWWHFWCCGILK-UHFFFAOYSA-N
XLogP1.54
TPSA32.50 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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
CID 43252914
2-methyl-3-[4-[3-(2,2,2-trifluoroethoxy)propyl]-1,4-diazepan-1-yl]propan-1-amine
CID 61491188
2-methyl-3-(4-octylpiperazin-1-yl)propan-1-amine
CID 43252936
5-[4-(3-amino-2-methylpropyl)piperazin-1-yl]pentan-1-ol
CID 62227302
5-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]pentan-1-ol
CID 62227492
2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-1-amine
CID 112588403
1-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 43251955
3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]pentan-1-amine
CID 115513334
3-[4-(2-methylbutyl)piperazin-1-yl]propan-1-amine
CID 62104734
3-[4-(2-ethoxyethyl)-1,4-diazepan-1-yl]-2-methylpropan-1-amine
CID 43457112
2-methyl-3-[4-(2-propan-2-ylsulfonylethyl)piperazin-1-yl]propan-1-amine
CID 106722640
3-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-amine;4-[4-(3-aminopropyl)piperazin-1-yl]butan-2-amine;1-(4-methylpiperazin-1-yl)butan-2-amine
CID 159573067

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 2-methyl-3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]propan-1-amine (CID 113326267) is 2-methyl-3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 2-methyl-3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]propan-1-amine is CC(CN)CN1CCN(CCCC(F)(F)F)CC1.
What is the InChIKey of 2-methyl-3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]propan-1-amine?
The InChIKey is VWXWWHFWCCGILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N3/c1-11(9-16)10-18-7-5-17(6-8-18)4-2-3-12(13,14)15/h11H,2-10,16H2,1H3.
What are the key properties of 2-methyl-3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]propan-1-amine?
2-methyl-3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]propan-1-amine has a molecular weight of 267.34 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 113326267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).