(3S,5R)-3,5-dimethyl-1-(oxan-4-yl)piperazine

C11H22N2O — CID 130988137

IUPAC(3S,5R)-3,5-dimethyl-1-(oxan-4-yl)piperazine
SMILESC[C@@H]1CN(C2CCOCC2)C[C@H](C)N1
InChIInChI=1S/C11H22N2O/c1-9-7-13(8-10(2)12-9)11-3-5-14-6-4-11/h9-12H,3-8H2,1-2H3/t9-,10+
InChIKeyJJDGGSRKFMOAAB-AOOOYVTPSA-N
MW198.31 g/mol
LogP0.85
Rot. Bonds1

About (3S,5R)-3,5-dimethyl-1-(oxan-4-yl)piperazine

(3S,5R)-3,5-dimethyl-1-(oxan-4-yl)piperazine (PubChem CID 130988137) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (3S,5R)-3,5-dimethyl-1-(oxan-4-yl)piperazine.

Molecular Properties

Compound Name(3S,5R)-3,5-dimethyl-1-(oxan-4-yl)piperazine
PubChem CID130988137
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(3S,5R)-3,5-dimethyl-1-(oxan-4-yl)piperazine
SMILESC[C@@H]1CN(C2CCOCC2)C[C@H](C)N1
InChIInChI=1S/C11H22N2O/c1-9-7-13(8-10(2)12-9)11-3-5-14-6-4-11/h9-12H,3-8H2,1-2H3/t9-,10+
InChIKeyJJDGGSRKFMOAAB-AOOOYVTPSA-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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Related Compounds

(3R,5R)-1-cyclobutyl-3,5-dimethylpiperazine
CID 166077594
3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane
CID 142298599
3,5-dimethyl-1-(oxan-4-ylmethyl)piperazine;hydrochloride
CID 119923993
1-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]piperidin-1-yl]ethanone
CID 90163867
5-methyl-1-(oxan-4-yl)piperidin-3-amine
CID 79986267
S-[1-(oxan-4-yl)azetidin-3-yl]thiohydroxylamine
CID 166854808
(3S,5R)-1-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperazine
CID 130914689
3,5-dimethyl-1-(4-propylcycloheptyl)piperazine
CID 65088741
(4R)-4-methyl-1-(oxan-4-yl)azepane
CID 66580615
(3S,5S)-1-[3-(difluoromethyl)cyclobutyl]-3,5-dimethylpiperazine
CID 99778390
4-methyl-1-(oxan-4-yl)azepane
CID 77147809
4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-amine
CID 171150058

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3,5-dimethyl-1-(oxan-4-yl)piperazine?
The IUPAC name of (3S,5R)-3,5-dimethyl-1-(oxan-4-yl)piperazine (CID 130988137) is (3S,5R)-3,5-dimethyl-1-(oxan-4-yl)piperazine.
What is the SMILES notation for (3S,5R)-3,5-dimethyl-1-(oxan-4-yl)piperazine?
The canonical SMILES for (3S,5R)-3,5-dimethyl-1-(oxan-4-yl)piperazine is C[C@@H]1CN(C2CCOCC2)C[C@H](C)N1.
What is the InChIKey of (3S,5R)-3,5-dimethyl-1-(oxan-4-yl)piperazine?
The InChIKey is JJDGGSRKFMOAAB-AOOOYVTPSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9-7-13(8-10(2)12-9)11-3-5-14-6-4-11/h9-12H,3-8H2,1-2H3/t9-,10+.
What are the key properties of (3S,5R)-3,5-dimethyl-1-(oxan-4-yl)piperazine?
(3S,5R)-3,5-dimethyl-1-(oxan-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 (3S,5R)-3,5-dimethyl-1-(oxan-4-yl)piperazine is sourced from PubChem (CID 130988137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).