(3R)-3-methyl-1-[(2S)-2-methyloxan-4-yl]piperazine

C11H22N2O — CID 156515970

IUPAC(3R)-3-methyl-1-[(2S)-2-methyloxan-4-yl]piperazine
SMILESC[C@@H]1CN(C2CCO[C@@H](C)C2)CCN1
InChIInChI=1S/C11H22N2O/c1-9-8-13(5-4-12-9)11-3-6-14-10(2)7-11/h9-12H,3-8H2,1-2H3/t9-,10+,11?/m1/s1
InChIKeyLTBOXJYUYUAJJF-JKIOLJMWSA-N
MW198.31 g/mol
LogP0.85
Rot. Bonds1

About (3R)-3-methyl-1-[(2S)-2-methyloxan-4-yl]piperazine

(3R)-3-methyl-1-[(2S)-2-methyloxan-4-yl]piperazine (PubChem CID 156515970) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (3R)-3-methyl-1-[(2S)-2-methyloxan-4-yl]piperazine.

Molecular Properties

Compound Name(3R)-3-methyl-1-[(2S)-2-methyloxan-4-yl]piperazine
PubChem CID156515970
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(3R)-3-methyl-1-[(2S)-2-methyloxan-4-yl]piperazine
SMILESC[C@@H]1CN(C2CCO[C@@H](C)C2)CCN1
InChIInChI=1S/C11H22N2O/c1-9-8-13(5-4-12-9)11-3-6-14-10(2)7-11/h9-12H,3-8H2,1-2H3/t9-,10+,11?/m1/s1
InChIKeyLTBOXJYUYUAJJF-JKIOLJMWSA-N
XLogP0.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-[(2S)-2-methyloxan-4-yl]piperazine?
The IUPAC name of (3R)-3-methyl-1-[(2S)-2-methyloxan-4-yl]piperazine (CID 156515970) is (3R)-3-methyl-1-[(2S)-2-methyloxan-4-yl]piperazine.
What is the SMILES notation for (3R)-3-methyl-1-[(2S)-2-methyloxan-4-yl]piperazine?
The canonical SMILES for (3R)-3-methyl-1-[(2S)-2-methyloxan-4-yl]piperazine is C[C@@H]1CN(C2CCO[C@@H](C)C2)CCN1.
What is the InChIKey of (3R)-3-methyl-1-[(2S)-2-methyloxan-4-yl]piperazine?
The InChIKey is LTBOXJYUYUAJJF-JKIOLJMWSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9-8-13(5-4-12-9)11-3-6-14-10(2)7-11/h9-12H,3-8H2,1-2H3/t9-,10+,11?/m1/s1.
What are the key properties of (3R)-3-methyl-1-[(2S)-2-methyloxan-4-yl]piperazine?
(3R)-3-methyl-1-[(2S)-2-methyloxan-4-yl]piperazine has a molecular weight of 198.31 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-[(2S)-2-methyloxan-4-yl]piperazine is sourced from PubChem (CID 156515970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).