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

C10H20F3N3 — CID 43252914

IUPAC2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
SMILESCC(CN)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H20F3N3/c1-9(6-14)7-15-2-4-16(5-3-15)8-10(11,12)13/h9H,2-8,14H2,1H3
InChIKeyNDEGRWTVWCKXGB-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.76
Rot. Bonds4

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

2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine (PubChem CID 43252914) has the molecular formula C10H20F3N3 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
PubChem CID43252914
Molecular FormulaC10H20F3N3
Molecular Weight239.28 g/mol
Exact Mass239.16
IUPAC Name2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
SMILESCC(CN)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H20F3N3/c1-9(6-14)7-15-2-4-16(5-3-15)8-10(11,12)13/h9H,2-8,14H2,1H3
InChIKeyNDEGRWTVWCKXGB-UHFFFAOYSA-N
XLogP0.76
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]propan-1-amine
CID 113326267
ethane;1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 168904282
1-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 43251955
1-(2,2-dimethoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 66223203
2-methyl-3-[4-[3-(2,2,2-trifluoroethoxy)propyl]-1,4-diazepan-1-yl]propan-1-amine
CID 61491188
4,4-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine
CID 62951330
2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-1-amine
CID 112588403
3-amino-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol
CID 64899600
1-methyl-4-(2,2,2-trifluoroethyl)piperazine
CID 23236212
methyl 2-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoate
CID 55141166
2-methyl-3-(4-octylpiperazin-1-yl)propan-1-amine
CID 43252936
1-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103205380

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine (CID 43252914) is 2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine is CC(CN)CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine?
The InChIKey is NDEGRWTVWCKXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3/c1-9(6-14)7-15-2-4-16(5-3-15)8-10(11,12)13/h9H,2-8,14H2,1H3.
What are the key properties of 2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine?
2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 43252914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).