(2S)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine

C10H19F3N2 — CID 58612005

IUPAC(2S)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine
SMILESCC(C)C[C@H]1CNCCN1CC(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-8(2)5-9-6-14-3-4-15(9)7-10(11,12)13/h8-9,14H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyOFRJDQKGKHHSBE-VIFPVBQESA-N
MW224.27 g/mol
LogP1.87
Rot. Bonds3

About (2S)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine

(2S)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine (PubChem CID 58612005) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is (2S)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name(2S)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine
PubChem CID58612005
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name(2S)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine
SMILESCC(C)C[C@H]1CNCCN1CC(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-8(2)5-9-6-14-3-4-15(9)7-10(11,12)13/h8-9,14H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyOFRJDQKGKHHSBE-VIFPVBQESA-N
XLogP1.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of (2S)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine (CID 58612005) is (2S)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for (2S)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for (2S)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine is CC(C)C[C@H]1CNCCN1CC(F)(F)F.
What is the InChIKey of (2S)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is OFRJDQKGKHHSBE-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19F3N2/c1-8(2)5-9-6-14-3-4-15(9)7-10(11,12)13/h8-9,14H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine?
(2S)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 224.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 58612005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).