(2S)-1-tert-butyl-2-methyl-4-(2,2,2-trifluoroethyl)piperazine

C11H21F3N2 — CID 121261181

IUPAC(2S)-1-tert-butyl-2-methyl-4-(2,2,2-trifluoroethyl)piperazine
SMILESC[C@H]1CN(CC(F)(F)F)CCN1C(C)(C)C
InChIInChI=1S/C11H21F3N2/c1-9-7-15(8-11(12,13)14)5-6-16(9)10(2,3)4/h9H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyJZQPXRTXVNFWTC-VIFPVBQESA-N
MW238.30 g/mol
LogP2.35
Rot. Bonds1

About (2S)-1-tert-butyl-2-methyl-4-(2,2,2-trifluoroethyl)piperazine

(2S)-1-tert-butyl-2-methyl-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 121261181) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is (2S)-1-tert-butyl-2-methyl-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name(2S)-1-tert-butyl-2-methyl-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID121261181
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC Name(2S)-1-tert-butyl-2-methyl-4-(2,2,2-trifluoroethyl)piperazine
SMILESC[C@H]1CN(CC(F)(F)F)CCN1C(C)(C)C
InChIInChI=1S/C11H21F3N2/c1-9-7-15(8-11(12,13)14)5-6-16(9)10(2,3)4/h9H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyJZQPXRTXVNFWTC-VIFPVBQESA-N
XLogP2.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-tert-butyl-2-methyl-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of (2S)-1-tert-butyl-2-methyl-4-(2,2,2-trifluoroethyl)piperazine (CID 121261181) is (2S)-1-tert-butyl-2-methyl-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for (2S)-1-tert-butyl-2-methyl-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for (2S)-1-tert-butyl-2-methyl-4-(2,2,2-trifluoroethyl)piperazine is C[C@H]1CN(CC(F)(F)F)CCN1C(C)(C)C.
What is the InChIKey of (2S)-1-tert-butyl-2-methyl-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is JZQPXRTXVNFWTC-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21F3N2/c1-9-7-15(8-11(12,13)14)5-6-16(9)10(2,3)4/h9H,5-8H2,1-4H3/t9-/m0/s1.
What are the key properties of (2S)-1-tert-butyl-2-methyl-4-(2,2,2-trifluoroethyl)piperazine?
(2S)-1-tert-butyl-2-methyl-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 238.30 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-tert-butyl-2-methyl-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 121261181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).