(3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperazine

C8H15F3N2 — CID 104975435

IUPAC(3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperazine
SMILESC[C@@H]1CN(CCC(F)(F)F)CCN1
InChIInChI=1S/C8H15F3N2/c1-7-6-13(5-3-12-7)4-2-8(9,10)11/h7,12H,2-6H2,1H3/t7-/m1/s1
InChIKeyQBWBVOCZMWMKBA-SSDOTTSWSA-N
MW196.22 g/mol
LogP1.23
Rot. Bonds2

About (3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperazine

(3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperazine (PubChem CID 104975435) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is (3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperazine.

Molecular Properties

Compound Name(3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperazine
PubChem CID104975435
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC Name(3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperazine
SMILESC[C@@H]1CN(CCC(F)(F)F)CCN1
InChIInChI=1S/C8H15F3N2/c1-7-6-13(5-3-12-7)4-2-8(9,10)11/h7,12H,2-6H2,1H3/t7-/m1/s1
InChIKeyQBWBVOCZMWMKBA-SSDOTTSWSA-N
XLogP1.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperazine?
The IUPAC name of (3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperazine (CID 104975435) is (3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperazine.
What is the SMILES notation for (3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperazine?
The canonical SMILES for (3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperazine is C[C@@H]1CN(CCC(F)(F)F)CCN1.
What is the InChIKey of (3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperazine?
The InChIKey is QBWBVOCZMWMKBA-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15F3N2/c1-7-6-13(5-3-12-7)4-2-8(9,10)11/h7,12H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of (3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperazine?
(3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperazine has a molecular weight of 196.22 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperazine is sourced from PubChem (CID 104975435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).