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

C11H22F3N3 — CID 64680572

IUPAC2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine
SMILESCC(C)(N)CCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H22F3N3/c1-10(2,15)3-4-16-5-7-17(8-6-16)9-11(12,13)14/h3-9,15H2,1-2H3
InChIKeyDOGKCBDRNDJMML-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.29
Rot. Bonds4

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

2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine (PubChem CID 64680572) has the molecular formula C11H22F3N3 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine.

Molecular Properties

Compound Name2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine
PubChem CID64680572
Molecular FormulaC11H22F3N3
Molecular Weight253.31 g/mol
Exact Mass253.18
IUPAC Name2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine
SMILESCC(C)(N)CCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H22F3N3/c1-10(2,15)3-4-16-5-7-17(8-6-16)9-11(12,13)14/h3-9,15H2,1-2H3
InChIKeyDOGKCBDRNDJMML-UHFFFAOYSA-N
XLogP1.29
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanamide
CID 62968267
4-(azocan-1-yl)-2-methylbutan-2-amine
CID 64678909
1-methyl-4-(2,2,2-trifluoroethyl)piperazine
CID 23236212
1-propyl-4-(2,2,2-trifluoroethyl)-1,4-diazepane
CID 176694162
2,2-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile
CID 65257365
2-amino-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoic acid
CID 62968090
2-amino-2-ethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile
CID 106803558
1-[4-(2-aminoethyl)piperazin-1-yl]-2-methylpropan-2-amine
CID 45117280
4,4-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-3-one
CID 62968608
2-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]propan-1-amine
CID 62575111
1-tert-butyl-4-(3,3,3-trifluoropropyl)piperazine
CID 59520016
1-(3-bromopropyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 62968303

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine?
The IUPAC name of 2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine (CID 64680572) is 2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine.
What is the SMILES notation for 2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine?
The canonical SMILES for 2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine is CC(C)(N)CCN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine?
The InChIKey is DOGKCBDRNDJMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3/c1-10(2,15)3-4-16-5-7-17(8-6-16)9-11(12,13)14/h3-9,15H2,1-2H3.
What are the key properties of 2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine?
2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine has a molecular weight of 253.31 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine is sourced from PubChem (CID 64680572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).