(3R)-3-methyl-1-(trideuteriomethyl)piperazine

C6H14N2 — CID 165429760

IUPAC(3R)-3-methyl-1-(trideuteriomethyl)piperazine
SMILES[2H]C([2H])([2H])N1CCN[C@H](C)C1
InChIInChI=1S/C6H14N2/c1-6-5-8(2)4-3-7-6/h6-7H,3-5H2,1-2H3/t6-/m1/s1/i2D3
InChIKeyFMMUNDXXVADKHS-MSRPOKMXSA-N
MW117.21 g/mol
LogP-0.09
Rot. Bonds1

About (3R)-3-methyl-1-(trideuteriomethyl)piperazine

(3R)-3-methyl-1-(trideuteriomethyl)piperazine (PubChem CID 165429760) has the molecular formula C6H14N2 and a molecular weight of 117.21 g/mol. Its IUPAC name is (3R)-3-methyl-1-(trideuteriomethyl)piperazine.

Molecular Properties

Compound Name(3R)-3-methyl-1-(trideuteriomethyl)piperazine
PubChem CID165429760
Molecular FormulaC6H14N2
Molecular Weight117.21 g/mol
Exact Mass117.13
IUPAC Name(3R)-3-methyl-1-(trideuteriomethyl)piperazine
SMILES[2H]C([2H])([2H])N1CCN[C@H](C)C1
InChIInChI=1S/C6H14N2/c1-6-5-8(2)4-3-7-6/h6-7H,3-5H2,1-2H3/t6-/m1/s1/i2D3
InChIKeyFMMUNDXXVADKHS-MSRPOKMXSA-N
XLogP-0.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.21
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1,3-dimethylpiperazine;ethane
CID 143846249
1,3-dimethylpiperazine;ethane
CID 167500512
(3R)-1,3-dimethylpiperazine;molecular hydrogen
CID 145424168
1,3-dimethylpiperazine;piperazine;hydrochloride
CID 174960389
1-cyclopropyl-3-methylpiperazine
CID 64926788
(5S)-1,5-dimethyl-1,4-diazepane
CID 93492381
(3R)-1-cycloheptyl-3-methylpiperazine
CID 95437868
1-(2,6-dimethylcyclohexyl)-3-methylpiperazine
CID 65416353
(3R)-3-methyl-1-(3-methylcyclopentyl)piperazine
CID 130736458
1-(4,4-dimethylcyclohexyl)-3-methylpiperazine
CID 64952038
1-(3-methylpiperazin-1-yl)ethanamine
CID 115102156
(3R)-3-methylpiperazine-1-sulfonyl chloride
CID 167734783

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-(trideuteriomethyl)piperazine?
The IUPAC name of (3R)-3-methyl-1-(trideuteriomethyl)piperazine (CID 165429760) is (3R)-3-methyl-1-(trideuteriomethyl)piperazine.
What is the SMILES notation for (3R)-3-methyl-1-(trideuteriomethyl)piperazine?
The canonical SMILES for (3R)-3-methyl-1-(trideuteriomethyl)piperazine is [2H]C([2H])([2H])N1CCN[C@H](C)C1.
What is the InChIKey of (3R)-3-methyl-1-(trideuteriomethyl)piperazine?
The InChIKey is FMMUNDXXVADKHS-MSRPOKMXSA-N. The full InChI is InChI=1S/C6H14N2/c1-6-5-8(2)4-3-7-6/h6-7H,3-5H2,1-2H3/t6-/m1/s1/i2D3.
What are the key properties of (3R)-3-methyl-1-(trideuteriomethyl)piperazine?
(3R)-3-methyl-1-(trideuteriomethyl)piperazine has a molecular weight of 117.21 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-(trideuteriomethyl)piperazine is sourced from PubChem (CID 165429760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).